4-[(Z)-2-chloranyl-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-chloranyl-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)vinyl]benzoic acid CAS Name: 4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-2-chloro-2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)vinyl]benzoic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C(=CC3=CC=C(C=C3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=CC=C(C=C3)C(=O)O)/Cl)OC

InChI

InChI=1S/C19H15ClN2O5/c1-26-15-8-12-14(9-16(15)27-2)21-17(22-18(12)23)13(20)7-10-3-5-11(6-4-10)19(24)25/h3-9H,1-2H3,(H,24,25)(H,21,22,23)/b13-7-