[(1S)-2-oxidanylidenecyclohexyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OC2CCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H]2CCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7/c1-24-13-7-6-10(8-11(13)18(22)23)16(21)17-9-15(20)25-14-5-3-2-4-12(14)19/h6-8,14H,2-5,9H2,1H3,(H,17,21)/t14-/m0/s1