[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O3/c1-3-7-17-13(21)9-23-15(22)14-10(2)18-20(19-14)12-6-4-5-11(16)8-12/h1,4-6,8H,7,9H2,2H3,(H,17,21)