methyl 3-[3-(4-methylphenyl)propanoylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[3-(4-methylphenyl)propanoylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[3-(p-tolyl)propanoylamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[3-(4-methylphenyl)-1-oxopropyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylphenyl)propanoylamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[3-(p-tolyl)propanoylamino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2=NNC(=N2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC2=NNC(=N2)C(=O)OC

InChI

InChI=1S/C14H16N4O3/c1-9-3-5-10(6-4-9)7-8-11(19)15-14-16-12(17-18-14)13(20)21-2/h3-6H,7-8H2,1-2H3,(H2,15,16,17,18,19)