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

Systemtic Name: 2-[(3-nitropyridin-1-ium-4-yl)amino]ethanoate Openeye Name: 2-[(3-nitropyridin-1-ium-4-yl)amino]acetate CAS Name: 2-[(3-nitro-4-pyridin-1-iumyl)amino]acetate IUPAC Name: 2-[(3-nitropyridin-1-ium-4-yl)amino]acetate Traditional Name: 2-[(3-nitropyridin-1-ium-4-yl)amino]acetate Formula: C7H7N3O4 MolecularWeight: 197.14818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC(=C1NCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC(=C1NCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O4/c11-7(12)4-9-5-1-2-8-3-6(5)10(13)14/h1-3H,4H2,(H,8,9)(H,11,12)