[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H13ClN4O6 MolecularWeight: 416.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O6/c19-13-6-5-11(7-15(13)23(27)28)21-16(24)9-29-17(25)8-22-10-20-14-4-2-1-3-12(14)18(22)26/h1-7,10H,8-9H2,(H,21,24)