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

Systemtic Name: 3-[3-[[1-(3,4-dimethylphenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid Openeye Name: 3-[3-[[1-(3,4-dimethylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]azo]phenyl]benzoic acid CAS Name: 3-[3-[[1-(3,4-dimethylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]azo]phenyl]benzoic acid IUPAC Name: 3-[3-[[1-(3,4-dimethylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid Traditional Name: 3-[3-[[1-(3,4-dimethylphenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]azo]phenyl]benzoic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H26N4O3/c1-4-7-24-25(26(32)31(30-24)23-13-12-17(2)18(3)14-23)29-28-22-11-6-9-20(16-22)19-8-5-10-21(15-19)27(33)34/h5-6,8-16,25H,4,7H2,1-3H3,(H,33,34)