methyl 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate

Systemtic Name: methyl 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate Openeye Name: methyl 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate CAS Name: 4-[(3-nitro-2-pyridin-1-iumyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-nitropyridin-1-ium-2-yl)amino]butanoate Traditional Name: 4-[(3-nitropyridin-1-ium-2-yl)amino]butyric acid methyl ester Formula: C10H14N3O4+ MolecularWeight: 240.23586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C(C=CC=[NH+]1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC1=C(C=CC=[NH+]1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O4/c1-17-9(14)5-3-7-12-10-8(13(15)16)4-2-6-11-10/h2,4,6H,3,5,7H2,1H3,(H,11,12)/p+1