3-(2-phenylethanoylamino)-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-(2-phenylethanoylamino)-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2-phenylacetyl)amino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2-phenylacetyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(2-phenylacetyl)amino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=NNC(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=NNC(=N2)C(=O)O

InChI

InChI=1S/C11H10N4O3/c16-8(6-7-4-2-1-3-5-7)12-11-13-9(10(17)18)14-15-11/h1-5H,6H2,(H,17,18)(H2,12,13,14,15,16)