4-(hydroxymethyl)-6-methyl-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: 4-(hydroxymethyl)-6-methyl-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: 4-(hydroxymethyl)-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate IUPAC Name: 4-(hydroxymethyl)-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-keto-6-methyl-4-methylol-5-nitro-1H-pyridine-3-carboxylate Formula: C8H7N2O6- MolecularWeight: 227.15098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)N1)C(=O)[O-])CO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=O)N1)C(=O)[O-])CO)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O6/c1-3-6(10(15)16)4(2-11)5(8(13)14)7(12)9-3/h11H,2H2,1H3,(H,9,12)(H,13,14)/p-1