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

Systemtic Name: 2-oxidanylidenepropyl 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: acetonyl 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid acetonyl ester Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3/c1-8(18)7-20-13(19)12-9(2)15-17(16-12)11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3