[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

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