1-[1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazol-3-yl]ethanone

Systemtic Name: 1-[1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazol-3-yl]ethanone Openeye Name: 1-[1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazol-3-yl]ethanone CAS Name: 1-[1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazol-3-yl]ethanone IUPAC Name: 1-[1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazol-3-yl]ethanone Traditional Name: 1-[1-(4-mesylphenyl)-8-nitro-4,5-dihydrobenz[g]indazol-3-yl]ethanone Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=NN(C2=C1CCC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H17N3O5S/c1-12(24)19-17-10-4-13-3-5-15(23(25)26)11-18(13)20(17)22(21-19)14-6-8-16(9-7-14)29(2,27)28/h3,5-9,11H,4,10H2,1-2H3