methyl 5-methyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 5-methyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoate CAS Name: 5-methyl-2-[[1-oxo-3-(1-triazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoate Traditional Name: 5-methyl-2-[3-(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)CCN2C=CN=N2)C(=O)OC

Isomeric SMILES

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

InChI

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