(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C12H11N3O4 MolecularWeight: 261.23344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=[N+]1[O-]

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C12H11N3O4/c1-8(14)9(6-13)11(16)7-19-12(17)10-4-2-3-5-15(10)18/h2-5,9,14H,7H2,1H3