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

Systemtic Name: 4-[[2-(1,2,4-triazol-1-yl)ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]benzoate Formula: C12H11N4O3- MolecularWeight: 259.24074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CN2C=NC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CN2C=NC=N2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O3/c17-11(6-16-8-13-7-15-16)14-5-9-1-3-10(4-2-9)12(18)19/h1-4,7-8H,5-6H2,(H,14,17)(H,18,19)/p-1