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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5/c1-15-10-7-6-9(8-11(10)16(19)20)14(18)21-13-5-3-2-4-12(13)17/h6-8,13,15H,2-5H2,1H3/t13-/m0/s1