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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)[O-])N2C=NC=N2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)C(=O)[O-])N2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c1-9(17-8-14-7-16-17)12(18)15-6-10-2-4-11(5-3-10)13(19)20/h2-5,7-9H,6H2,1H3,(H,15,18)(H,19,20)/p-1/t9-/m1/s1