2-(3-chloranyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(3-chloranyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(3-chloro-4,5-dimethoxy-phenyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(3-chloro-4,5-dimethoxyphenyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(3-chloro-4,5-dimethoxyphenyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(3-chloro-4,5-dimethoxy-phenyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C17H12ClN2O5- MolecularWeight: 359.74058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-])Cl)OC

InChI

InChI=1S/C17H13ClN2O5/c1-24-13-7-9(5-11(18)14(13)25-2)15-19-12-6-8(17(22)23)3-4-10(12)16(21)20-15/h3-7H,1-2H3,(H,22,23)(H,19,20,21)/p-1