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

Systemtic Name: [(1S,3S)-3-butyl-3-methyl-2-oxidanylidene-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,3S)-3-butyl-3-methyl-2-oxo-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,3S)-3-butyl-3-methyl-2-oxocyclohexyl] ester IUPAC Name: [(1S,3S)-3-butyl-3-methyl-2-oxocyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3S)-3-butyl-2-keto-3-methyl-cyclohexyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-4-11-18(2)12-5-6-15(16(18)20)24-17(21)13-7-9-14(10-8-13)19(22)23/h7-10,15H,3-6,11-12H2,1-2H3/t15-,18-/m0/s1