[(1R,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1R,3S)-3-methyl-2-oxidanylidene-3-phenyl-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1R,3S)-3-methyl-2-oxo-3-phenyl-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,3S)-3-methyl-2-oxo-3-phenylcyclohexyl] ester IUPAC Name: [(1R,3S)-3-methyl-2-oxo-3-phenylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,3S)-2-keto-3-methyl-3-phenyl-cyclohexyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-20(15-6-3-2-4-7-15)13-5-8-17(18(20)22)26-19(23)14-9-11-16(12-10-14)21(24)25/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-,20+/m1/s1