ethyl 5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-carboxylate CAS Name: 5-[[(5-nitro-2-pyridin-1-iumyl)amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-carboxylate Traditional Name: 5-[[(5-nitropyridin-1-ium-2-yl)amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C13H14N3O5+ MolecularWeight: 292.26736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-2-20-13(17)11-5-4-10(21-11)8-15-12-6-3-9(7-14-12)16(18)19/h3-7H,2,8H2,1H3,(H,14,15)/p+1