azanium 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: azanium 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ammonium 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexanecarboxylate CAS Name: ammonium 4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: azanium 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: ammonium 4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]cyclohexanecarboxylate Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-].[NH4+]

InChI

InChI=1S/C16H20N2O6.H3N/c19-15(20)13-5-1-11(2-6-13)9-17-16(21)24-10-12-3-7-14(8-4-12)18(22)23;/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,17,21)(H,19,20);1H3