4-[(2E)-4-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[(2E)-4-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid Openeye Name: 4-[(2E)-4-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid CAS Name: 4-[(2E)-4-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinazolin-3-yl]benzoic acid IUPAC Name: 4-[(2E)-4-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid Traditional Name: 4-[(2E)-4-keto-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=C3C=CC=CC3=O)N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(/C(=C/3\C=CC=CC3=O)/N2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-18-8-4-2-6-16(18)19-22-17-7-3-1-5-15(17)20(25)23(19)14-11-9-13(10-12-14)21(26)27/h1-12,22H,(H,26,27)/b19-16+