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

Systemtic Name: 4-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)amino]benzoic acid Openeye Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid CAS Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid IUPAC Name: 4-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)amino]benzoic acid Traditional Name: 4-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)amino]benzoic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)NC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)NC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C17H15N3O5/c1-24-13-7-11-12(8-14(13)25-2)19-17(20-15(11)21)18-10-5-3-9(4-6-10)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,18,19,20,21)