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

Systemtic Name: methyl 3-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC=N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC=N2

InChI

InChI=1S/C12H12N4O3/c1-19-12(18)9-3-2-4-10(5-9)15-11(17)6-16-8-13-7-14-16/h2-5,7-8H,6H2,1H3,(H,15,17)