methyl 4-methyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC=N2

InChI

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