4-[[2-(4-nitrophenyl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-nitrophenyl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(4-nitrophenyl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-nitrophenyl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H20N2O5/c19-15(9-11-3-7-14(8-4-11)18(22)23)17-10-12-1-5-13(6-2-12)16(20)21/h3-4,7-8,12-13H,1-2,5-6,9-10H2,(H,17,19)(H,20,21)