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

Systemtic Name: methyl (1S,2S)-1-[3-(2-nitroethyl)-1H-indol-2-yl]-2-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2S)-2-hydroxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-hydroxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-2-hydroxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-hydroxy-1-[3-(2-nitroethyl)-1H-indol-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1O)C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-25-17(22)18(10-5-4-8-15(18)21)16-13(9-11-20(23)24)12-6-2-3-7-14(12)19-16/h2-3,6-7,15,19,21H,4-5,8-11H2,1H3/t15-,18+/m0/s1