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

Systemtic Name: propan-2-yl 2-(4-chlorophenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: isopropyl 2-(4-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(4-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-chlorophenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-3-keto-1H-1,2,4-triazole-5-carboxylic acid isopropyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O3/c1-7(2)19-11(17)10-14-12(18)16(15-10)9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,14,15,18)