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

Systemtic Name: 5-oxidanylidene-1-(phenylmethyl)-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-benzyl-5-oxo-2H-triazole-4-carboxylic acid CAS Name: 5-oxo-1-(phenylmethyl)-2H-triazole-4-carboxylic acid IUPAC Name: 1-benzyl-5-oxo-2H-triazole-4-carboxylic acid Traditional Name: 1-benzyl-5-keto-2H-triazole-4-carboxylic acid Formula: C10H9N3O3 MolecularWeight: 219.19676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=NN2)C(=O)O

InChI

InChI=1S/C10H9N3O3/c14-9-8(10(15)16)11-12-13(9)6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H,15,16)