2-[[3-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid CAS Name: 2-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)azo]benzoic acid IUPAC Name: 2-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid Traditional Name: 2-[(1-benzoyl-5-keto-3-methyl-2-pyrazolin-4-yl)azo]benzoic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O4/c1-11-15(20-19-14-10-6-5-9-13(14)18(25)26)17(24)22(21-11)16(23)12-7-3-2-4-8-12/h2-10,15H,1H3,(H,25,26)