[2-nitro-6-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]phenyl] benzoate

Systemtic Name: [2-nitro-6-[(4-oxidanylidene-2-phenyl-quinazolin-3-yl)iminomethyl]phenyl] benzoate Openeye Name: [2-nitro-6-[(4-oxo-2-phenyl-quinazolin-3-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-nitro-6-[(4-oxo-2-phenyl-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-nitro-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(4-keto-2-phenyl-quinazolin-3-yl)iminomethyl]-6-nitro-phenyl] ester Formula: C28H18N4O5 MolecularWeight: 490.46632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=C(C(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=C(C(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H18N4O5/c33-27-22-15-7-8-16-23(22)30-26(19-10-3-1-4-11-19)31(27)29-18-21-14-9-17-24(32(35)36)25(21)37-28(34)20-12-5-2-6-13-20/h1-18H