ethyl (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenyl-cyclohexene-1-carboxylate

Systemtic Name: ethyl (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenyl-cyclohexene-1-carboxylate Openeye Name: ethyl (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenyl-cyclohexene-1-carboxylate CAS Name: (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenyl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenylcyclohexene-1-carboxylate Traditional Name: (4S,5R,6S)-4-(4-bromophenyl)-5-nitro-6-phenyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(C(C1C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC[C@H]([C@H]([C@H]1C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO4/c1-2-27-21(24)18-13-12-17(14-8-10-16(22)11-9-14)20(23(25)26)19(18)15-6-4-3-5-7-15/h3-11,13,17,19-20H,2,12H2,1H3/t17-,19-,20+/m0/s1