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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C(C)N2C=NC=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)[C@@H](C)N2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-8-3-4-10(13(19)20)5-11(8)16-12(18)9(2)17-7-14-6-15-17/h3-7,9H,1-2H3,(H,16,18)(H,19,20)/p-1/t9-/m1/s1