4-[[3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-(3-isobutyl-1-phenyl-pyrazol-4-yl)azobenzoic acid CAS Name: 4-[[3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[3-(2-methylpropyl)-1-phenylpyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-(3-isobutyl-1-phenyl-pyrazol-4-yl)azobenzoic acid Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2/c1-14(2)12-18-19(13-24(23-18)17-6-4-3-5-7-17)22-21-16-10-8-15(9-11-16)20(25)26/h3-11,13-14H,12H2,1-2H3,(H,25,26)