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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN2C=NC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CN2C=NC=N2

InChI

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