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

Systemtic Name: 4-[[1-ethanoyl-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-(1-acetyl-3-isobutyl-pyrazol-4-yl)azobenzoic acid CAS Name: 4-[[1-acetyl-3-(2-methylpropyl)-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[1-acetyl-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-(1-acetyl-3-isobutyl-pyrazol-4-yl)azobenzoic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-10(2)8-14-15(9-20(19-14)11(3)21)18-17-13-6-4-12(5-7-13)16(22)23/h4-7,9-10H,8H2,1-3H3,(H,22,23)