2-[4-[2-(1,2,4-triazol-1-yl)ethanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(1,2,4-triazol-1-yl)ethanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]acetic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)CN2C=NC=N2

InChI

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