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

Systemtic Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[3-isobutyl-1-(4-nitrophenyl)pyrazol-4-yl]azobenzoic acid CAS Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)-4-pyrazolyl]azo]benzoic acid IUPAC Name: 4-[[3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[3-isobutyl-1-(4-nitrophenyl)pyrazol-4-yl]azobenzoic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN(C=C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-13(2)11-18-19(22-21-15-5-3-14(4-6-15)20(26)27)12-24(23-18)16-7-9-17(10-8-16)25(28)29/h3-10,12-13H,11H2,1-2H3,(H,26,27)