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

Systemtic Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Openeye Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate CAS Name: 2-[methyl-[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoate IUPAC Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Traditional Name: 2-[methyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Formula: C13H13N4O3- MolecularWeight: 273.26732

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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)/p-1