4-[6-nitro-2,4-bis(oxidanylidene)-1-phenyl-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[6-nitro-2,4-bis(oxidanylidene)-1-phenyl-quinazolin-3-yl]benzoic acid Openeye Name: 4-(6-nitro-2,4-dioxo-1-phenyl-quinazolin-3-yl)benzoic acid CAS Name: 4-(6-nitro-2,4-dioxo-1-phenyl-3-quinazolinyl)benzoic acid IUPAC Name: 4-(6-nitro-2,4-dioxo-1-phenylquinazolin-3-yl)benzoic acid Traditional Name: 4-(2,4-diketo-6-nitro-1-phenyl-quinazolin-3-yl)benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13N3O6/c25-19-17-12-16(24(29)30)10-11-18(17)22(14-4-2-1-3-5-14)21(28)23(19)15-8-6-13(7-9-15)20(26)27/h1-12H,(H,26,27)