[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C23H22N4O6/c1-14(22(29)24-15-5-4-6-17(13-15)27(31)32)33-21(28)12-11-20-25-19-8-3-2-7-18(19)23(30)26(20)16-9-10-16/h2-8,13-14,16H,9-12H2,1H3,(H,24,29)