4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-nitrophenyl)methoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-nitrobenzyl)oxycarbonylamino]methyl]cyclohexanecarboxylic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/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)