(phenylmethyl) 2-(3-chlorophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-(3-chlorophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: benzyl 2-(3-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(3-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid benzyl ester Formula: C16H12ClN3O3 MolecularWeight: 329.73778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=NC(=O)N(N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=NC(=O)N(N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H12ClN3O3/c17-12-7-4-8-13(9-12)20-16(22)18-14(19-20)15(21)23-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,22)