Ethyl 4-{[3-({2-Amino-6-[(Ethoxycarbonyl)Amino]-3-Nitro-4-Pyridinyl}Amino)-2-Oxopropyl]Amino}Benzoate
[CAS# 30982-97-9]

Identification

• Name: Ethyl 4-{[3-({2-Amino-6-[(Ethoxycarbonyl)Amino]-3-Nitro-4-Pyridinyl}Amino)-2-Oxopropyl]Amino}Benzoate
• Synonyms: Benzoic acid, 4-[[3-[[2-amino-6-[(ethoxycarbonyl)amino]-3-nitro-4-pyridinyl]amino]-2-oxopropyl]amino]-, ethyl ester; ethyl 4-{[3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-oxopropyl]amino}benzoate; AIDS075228
• Molecular Formula: C₂₀H₂₄N₆O₇
• Molecular Weight: 460.44
• CAS Registry Number: 30982-97-9
• EINECS: 250-414-2
• SMILES: O=[N+]([O-])c1c(cc(nc1N)NC(=O)OCC)NCC(=O)CNc2ccc(C(=O)OCC)cc2
• InChI: 1S/C20H24N6O7/c1-3-32-19(28)12-5-7-13(8-6-12)22-10-14(27)11-23-15-9-16(25-20(29)33-4-2)24-18(21)17(15)26(30)31/h5-9,22H,3-4,10-11H2,1-2H3,(H4,21,23,24,25,29)
• InChIKey: PVHHZZONRGFPPH-UHFFFAOYSA-N

Properties

• Density: 1.436g/cm³ (Cal.)
• Boiling point: 691.108°C at 760 mmHg (Cal.)
• Flash point: 371.769°C (Cal.)