4-[[1-(2,4-dinitrophenyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide

Systemtic Name: 4-[[1-(2,4-dinitrophenyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Openeye Name: 4-[1-(2,4-dinitrophenyl)-3-isobutyl-pyrazol-4-yl]azobenzenesulfonamide CAS Name: 4-[[1-(2,4-dinitrophenyl)-3-(2-methylpropyl)-4-pyrazolyl]azo]benzenesulfonamide IUPAC Name: 4-[[1-(2,4-dinitrophenyl)-3-(2-methylpropyl)pyrazol-4-yl]diazenyl]benzenesulfonamide Traditional Name: 4-[1-(2,4-dinitrophenyl)-3-isobutyl-pyrazol-4-yl]azobenzenesulfonamide Formula: C19H19N7O6S MolecularWeight: 473.46246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O6S/c1-12(2)9-16-17(22-21-13-3-6-15(7-4-13)33(20,31)32)11-24(23-16)18-8-5-14(25(27)28)10-19(18)26(29)30/h3-8,10-12H,9H2,1-2H3,(H2,20,31,32)