Indo-Gangetic plains (IGP) of South Asia have supported bulk of human and bovine population in the region since ages, and a spectacular progress has been made in food production. However, malnutrition, diminishing total factor productivity, and natural resource degradation continue to plague this cereal-dominated region, which is also vulnerable to climate change. Addressing these challenges would require a transition towards diversifying cereal rotations with agroecological cropping systems. A study was, therefore, conducted at the experimental farm of ICAR-CSSRI, Karnal on crop diversification and sustainable intensification options using agro-ecological approaches such as Conservation Agriculture (CA) and diversified cropping systems to ensure food and nutritional security while sustaining the natural resources. On 2 years mean basis, CA-based cropping system management scenarios (mean of Sc2–Sc7) using diversified crop rotations; increased the system yield by 15.4%, net return by 28.7%, protein yield by 29.7%, while using 53.0% less irrigation water compared to conventional tillage (CT)-based rice–wheat system (Sc1). Maize-mustard-mungbean on permanent beds (PBs) (Sc4) recorded the highest productivity (+ 40.7%), profitability (+ 60.1%), and saved 81.8% irrigation water compared to Sc1 (11.8 Mg ha−1; 2190 USD ha−1; 2514 mm ha−1). Similarly, Sc5 (maize-wheat-mungbean on PBs) improved productivity (+ 32.2%), profitability (+ 57.4%) and saved irrigation water (75.5%) compared to Sc1. In terms of nutritional value, Sc5 was more balanced than other scenarios, and produced 43.8, 27.5 and 259.8% higher protein, carbohydrate and fat yields, respectively, compared to Sc1 (0.93, 8.55 and 0.14 Mg ha−1). Scenario 5 was able to meet the nutrient demand of 19, 23 and 32 additional persons ha−1 year−1 with respect to protein, carbohydrate and fat, respectively, compared to Sc1. The highest protein water productivity (~ 0.31 kg protein m−3 water) was recorded with CA-based soybean-wheat-mungbean (Sc6) system followed by maize-mustard-mungbean on PBs (Sc4) system (~ 0.29 kg protein m−3) and lowest under Sc1. Integration of short duration legume (mungbean) improved the system productivity by 17.2% and profitability by 32.1%, while triple gains in irrigation water productivity compared to CT-based systems. In western IGP, maize-wheat-mungbean on PBs was found most productive, profitable and nutritionally rich and efficient system compared to other systems. Therefore, diversification of water intensive cereal rotations with inclusion of legumes and CA-based management optimization can be potential option to ensure nutritious food for the dwelling communities and sustainability of natural resources in the region.