[(1S)-2-oxidanylidenecyclohexyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-methyl-4-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO5/c1-9-8-10(6-7-11(9)15(18)19)14(17)20-13-5-3-2-4-12(13)16/h6-8,13H,2-5H2,1H3/t13-/m0/s1