methyl 1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-nitro-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-(3,3-dimethyl-2-oxidanylidene-butyl)-5-nitro-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-(3,3-dimethyl-2-oxo-butyl)-5-nitro-6-oxo-pyridine-3-carboxylate CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-5-nitro-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,3-dimethyl-2-oxobutyl)-5-nitro-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-(2-keto-3,3-dimethyl-butyl)-5-nitro-nicotinic acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=C(C=C(C1=O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)CN1C=C(C=C(C1=O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)10(16)7-14-6-8(12(18)21-4)5-9(11(14)17)15(19)20/h5-6H,7H2,1-4H3