[(1S,5R)-5-methyl-2-methylidene-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,5R)-5-methyl-2-methylidene-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,5R)-5-methyl-2-methylene-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,5R)-5-methyl-2-methylenecyclohexyl] ester IUPAC Name: [(1S,5R)-5-methyl-2-methylidenecyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,5R)-5-methyl-2-methylene-cyclohexyl] ester Formula: C15H17NO4 MolecularWeight: 275.29978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-10-3-4-11(2)14(9-10)20-15(17)12-5-7-13(8-6-12)16(18)19/h5-8,10,14H,2-4,9H2,1H3/t10-,14+/m1/s1