[(1S)-2-oxidanylidenecyclohexyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H15ClN2O6 MolecularWeight: 354.7424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN2O6/c16-10-5-9(6-11(7-10)18(22)23)15(21)17-8-14(20)24-13-4-2-1-3-12(13)19/h5-7,13H,1-4,8H2,(H,17,21)/t13-/m0/s1