4-[[(4-chloranyl-3-nitro-phenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-chloranyl-3-nitro-phenyl)methylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chloro-3-nitro-phenyl)methylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-chloro-3-nitrophenyl)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chloro-3-nitrophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chloro-3-nitro-benzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C15H19ClN2O4 MolecularWeight: 326.77536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CCC1CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H19ClN2O4/c16-13-6-3-11(7-14(13)18(21)22)9-17-8-10-1-4-12(5-2-10)15(19)20/h3,6-7,10,12,17H,1-2,4-5,8-9H2,(H,19,20)