1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-(4-mesylphenyl)-8-nitro-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(CCC4=C3C=C(C=C4)[N+](=O)[O-])C(=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(CCC4=C3C=C(C=C4)[N+](=O)[O-])C(=N2)C(=O)O

InChI

InChI=1S/C19H15N3O6S/c1-29(27,28)14-7-5-12(6-8-14)21-18-15(17(20-21)19(23)24)9-3-11-2-4-13(22(25)26)10-16(11)18/h2,4-8,10H,3,9H2,1H3,(H,23,24)