4-[[(2-nitrophenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(2-nitrophenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(2-nitrophenyl)methylammonio]methyl]cyclohexanecarboxylate CAS Name: 4-[[(2-nitrophenyl)methylammonio]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2-nitrophenyl)methylazaniumyl]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-nitrobenzyl)ammonio]methyl]cyclohexanecarboxylate Formula: C15H20N2O4 MolecularWeight: 292.3303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C[NH2+]CC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(CCC1C[NH2+]CC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c18-15(19)12-7-5-11(6-8-12)9-16-10-13-3-1-2-4-14(13)17(20)21/h1-4,11-12,16H,5-10H2,(H,18,19)