2-[[1-cyano-2-(4-methylphenyl)-2-oxidanylidene-ethyl]diazenyl]benzoic acid

Systemtic Name: 2-[[1-cyano-2-(4-methylphenyl)-2-oxidanylidene-ethyl]diazenyl]benzoic acid Openeye Name: 2-[1-cyano-2-oxo-2-(p-tolyl)ethyl]azobenzoic acid CAS Name: 2-[1-cyano-2-(4-methylphenyl)-2-oxoethyl]azobenzoic acid IUPAC Name: 2-[[1-cyano-2-(4-methylphenyl)-2-oxoethyl]diazenyl]benzoic acid Traditional Name: 2-[1-cyano-2-keto-2-(p-tolyl)ethyl]azobenzoic acid Formula: C17H13N3O3 MolecularWeight: 307.30342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C#N)N=NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C#N)N=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H13N3O3/c1-11-6-8-12(9-7-11)16(21)15(10-18)20-19-14-5-3-2-4-13(14)17(22)23/h2-9,15H,1H3,(H,22,23)