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

Systemtic Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoic acid Openeye Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoic acid CAS Name: 2-[methyl-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoic acid Traditional Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CCN2C=NC=N2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CCN2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-16(11-5-3-2-4-10(11)13(19)20)12(18)6-7-17-9-14-8-15-17/h2-5,8-9H,6-7H2,1H3,(H,19,20)