methyl 2-(4-chlorophenyl)-4-oxidanylidene-1H-quinazoline-5-carboxylate

Systemtic Name: methyl 2-(4-chlorophenyl)-4-oxidanylidene-1H-quinazoline-5-carboxylate Openeye Name: methyl 2-(4-chlorophenyl)-4-oxo-1H-quinazoline-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-oxo-1H-quinazoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-4-oxo-1H-quinazoline-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-keto-1H-quinazoline-5-carboxylic acid methyl ester Formula: C16H11ClN2O3 MolecularWeight: 314.72314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC(=NC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC(=NC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O3/c1-22-16(21)11-3-2-4-12-13(11)15(20)19-14(18-12)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,20)