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

Systemtic Name: 5-(2-phenylethanoylamino)-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-[(2-phenylacetyl)amino]-2H-triazole-4-carboxylic acid CAS Name: 5-[(1-oxo-2-phenylethyl)amino]-2H-triazole-4-carboxylic acid IUPAC Name: 5-[(2-phenylacetyl)amino]-2H-triazole-4-carboxylic acid Traditional Name: 5-[(2-phenylacetyl)amino]-2H-triazole-4-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=NNN=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=NNN=C2C(=O)O

InChI

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