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

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

CC(C(=O)N(C)C1=CC=CC=C1C(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1C(=O)O)N2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-9(17-8-14-7-15-17)12(18)16(2)11-6-4-3-5-10(11)13(19)20/h3-9H,1-2H3,(H,19,20)