methyl 5-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 5-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 5-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 5-methyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 5-methyl-2-[2-(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=CC(=C(C=C1)NC(=O)C(C)N2C=NC=N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2C=NC=N2)C(=O)OC

InChI

InChI=1S/C14H16N4O3/c1-9-4-5-12(11(6-9)14(20)21-3)17-13(19)10(2)18-8-15-7-16-18/h4-8,10H,1-3H3,(H,17,19)