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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-chlorophenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylate CAS Name: 2-(3-chlorophenyl)-5-methyl-4-triazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(3-chlorophenyl)-5-methyltriazole-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-5-methyl-triazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=NN(N=C1C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=NN(N=C1C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN4O3/c1-3-4-8-18-14(22)10-24-16(23)15-11(2)19-21(20-15)13-7-5-6-12(17)9-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,22)