methyl (1S,2R)-2-acetyloxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-acetyloxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-acetoxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-acetyloxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-acetyloxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-acetoxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1(C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1CCCC[C@@]1(C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H24N2O6/c1-13(23)28-17-9-5-6-11-20(17,19(24)27-2)18-15(10-12-22(25)26)14-7-3-4-8-16(14)21-18/h3-4,7-8,17,21H,5-6,9-12H2,1-2H3/t17-,20-/m1/s1