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

Systemtic Name: ethyl 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Openeye Name: ethyl 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate CAS Name: 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole-3-carboxylate Traditional Name: 1-(4-mesylphenyl)-8-nitro-4,5-dihydrobenz[g]indazole-3-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S/c1-3-30-21(25)19-17-11-5-13-4-6-15(24(26)27)12-18(13)20(17)23(22-19)14-7-9-16(10-8-14)31(2,28)29/h4,6-10,12H,3,5,11H2,1-2H3