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

Systemtic Name: 3-[4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 3-[4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H22N6O4 MolecularWeight: 446.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C)C

InChI

InChI=1S/C23H22N6O4/c1-12-8-9-18(10-13(12)2)29-22(31)20(15(4)27-29)25-24-19-14(3)26-28(21(19)30)17-7-5-6-16(11-17)23(32)33/h5-11,19-20H,1-4H3,(H,32,33)