4-[(1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzoic acid

Systemtic Name: 4-[(1,3-dimethyl-5-oxidanylidene-4H-pyrazol-4-yl)diazenyl]benzoic acid Openeye Name: 4-[(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid CAS Name: 4-[(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid IUPAC Name: 4-[(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 4-[(5-keto-1,3-dimethyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C12H12N4O3 MolecularWeight: 260.24868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C12H12N4O3/c1-7-10(11(17)16(2)15-7)14-13-9-5-3-8(4-6-9)12(18)19/h3-6,10H,1-2H3,(H,18,19)