4-[2-(4-nitrophenyl)-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-(4-nitrophenyl)-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-(4-nitrophenyl)-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-(4-nitrophenyl)-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-(4-nitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-(4-nitrophenyl)quinazolin-3-yl]benzoic acid Formula: C21H13N3O5 MolecularWeight: 387.34502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13N3O5/c25-20-17-3-1-2-4-18(17)22-19(13-5-11-16(12-6-13)24(28)29)23(20)15-9-7-14(8-10-15)21(26)27/h1-12H,(H,26,27)