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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-23-9-8-17-12-7-6-11(10-13(12)18(21)22)16(20)24-15-5-3-2-4-14(15)19/h6-7,10,15,17H,2-5,8-9H2,1H3/t15-/m0/s1