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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-16(2)11-8-7-10(9-12(11)17(20)21)15(19)22-14-6-4-3-5-13(14)18/h7-9,14H,3-6H2,1-2H3/t14-/m0/s1