cyanomethyl 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: cyanomethyl 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: cyanomethyl 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid cyanomethyl ester Formula: C12H9ClN4O2 MolecularWeight: 276.67846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H9ClN4O2/c1-8-11(12(18)19-6-5-14)16-17(15-8)10-4-2-3-9(13)7-10/h2-4,7H,6H2,1H3