1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylic acid

Systemtic Name: 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylic acid Openeye Name: 1-[2-(4-methylanilino)-2-oxo-ethyl]triazole-4,5-dicarboxylic acid CAS Name: 1-[2-(4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid IUPAC Name: 1-[2-(4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid Traditional Name: 1-[2-keto-2-(p-toluidino)ethyl]triazole-4,5-dicarboxylic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H12N4O5/c1-7-2-4-8(5-3-7)14-9(18)6-17-11(13(21)22)10(12(19)20)15-16-17/h2-5H,6H2,1H3,(H,14,18)(H,19,20)(H,21,22)