4-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(5-nitro-2-pyridin-1-iumyl)amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]cyclohexanecarboxylate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17N3O4/c17-13(18)10-3-1-9(2-4-10)7-14-12-6-5-11(8-15-12)16(19)20/h5-6,8-10H,1-4,7H2,(H,14,15)(H,17,18)