3-[4-[(2-methoxy-4-nitro-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 3-[4-[(2-methoxy-4-nitro-phenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonamide Openeye Name: 3-[4-(2-methoxy-4-nitro-phenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide CAS Name: 3-[4-(2-methoxy-4-nitrophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide IUPAC Name: 3-[4-[(2-methoxy-4-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide Traditional Name: 3-[5-keto-4-(2-methoxy-4-nitro-phenyl)azo-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C17H16N6O6S MolecularWeight: 432.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O6S/c1-10-16(20-19-14-7-6-12(23(25)26)9-15(14)29-2)17(24)22(21-10)11-4-3-5-13(8-11)30(18,27)28/h3-9,16H,1-2H3,(H2,18,27,28)