[(1S)-2-oxidanylidenecyclohexyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6/c18-12-6-1-2-7-13(12)23-14(19)9-16-15(20)10-4-3-5-11(8-10)17(21)22/h3-5,8,13H,1-2,6-7,9H2,(H,16,20)/t13-/m0/s1