(2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitro-ethyl]-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one

Systemtic Name: (2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitro-ethyl]-2-methyl-5-prop-1-en-2-yl-cyclohexan-1-one Openeye Name: (2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitro-ethyl]-5-isopropenyl-2-methyl-cyclohexanone CAS Name: (2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitroethyl]-2-methyl-5-(1-methylethenyl)-1-cyclohexanone IUPAC Name: (2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitroethyl]-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one Traditional Name: (2S,3R,5S)-3-[(1R)-2-(1H-indol-3-yl)-1-nitro-ethyl]-5-isopropenyl-2-methyl-cyclohexanone Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(CC1=O)C(=C)C)C(CC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H](C[C@@H](CC1=O)C(=C)C)[C@@H](CC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O3/c1-12(2)14-8-17(13(3)20(23)10-14)19(22(24)25)9-15-11-21-18-7-5-4-6-16(15)18/h4-7,11,13-14,17,19,21H,1,8-10H2,2-3H3/t13-,14-,17+,19+/m0/s1