methyl 1-hexyl-4-methyl-5-nitro-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-hexyl-4-methyl-5-nitro-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-hexyl-4-methyl-5-nitro-6-oxo-pyridine-3-carboxylate CAS Name: 1-hexyl-4-methyl-5-nitro-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-hexyl-4-methyl-5-nitro-6-oxopyridine-3-carboxylate Traditional Name: 1-hexyl-6-keto-4-methyl-5-nitro-nicotinic acid methyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=C(C1=O)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCCCCCN1C=C(C(=C(C1=O)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C14H20N2O5/c1-4-5-6-7-8-15-9-11(14(18)21-3)10(2)12(13(15)17)16(19)20/h9H,4-8H2,1-3H3