[(1S)-2-oxidanylidenecyclohexyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c19-13-3-1-2-4-14(13)24-15(20)9-10-17-16(21)11-5-7-12(8-6-11)18(22)23/h5-8,14H,1-4,9-10H2,(H,17,21)/t14-/m0/s1