(3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-10-14(15(22)23-9-13(21)16(2,3)4)19-20(18-10)12-7-5-6-11(17)8-12/h5-8H,9H2,1-4H3