tert-butyl (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1R)-1-(methylsulfonyloxymethyl)-5-nitro-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])COS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])COS(=O)(=O)C

InChI

InChI=1S/C19H22N2O7S/c1-19(2,3)28-18(22)20-10-12(11-27-29(4,25)26)17-14-8-6-5-7-13(14)15(21(23)24)9-16(17)20/h5-9,12H,10-11H2,1-4H3/t12-/m1/s1