[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-4-(4-bromanyl-3-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-4-(4-bromanyl-3-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-4-(4-bromo-3-nitro-phenyl)-3-methyl-4-oxo-butanoate CAS Name: (3R)-4-(4-bromo-3-nitrophenyl)-3-methyl-4-oxobutanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(4-bromo-3-nitrophenyl)-3-methyl-4-oxobutanoate Traditional Name: (3R)-4-(4-bromo-3-nitro-phenyl)-4-keto-3-methyl-butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28BrNO5 MolecularWeight: 454.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO5/c1-12(2)16-7-5-13(3)9-19(16)28-20(24)10-14(4)21(25)15-6-8-17(22)18(11-15)23(26)27/h6,8,11-14,16,19H,5,7,9-10H2,1-4H3/t13-,14-,16+,19-/m1/s1