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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H18N4O6/c1-12(19(26)21-13-5-4-6-14(11-13)24(28)29)30-18(25)10-9-17-22-16-8-3-2-7-15(16)20(27)23-17/h2-8,11-12H,9-10H2,1H3,(H,21,26)(H,22,23,27)