heptyl (5E)-5-[methoxy(oxidanyl)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxidanylidene-1,4-dihydropyridine-3-carboxylate

Systemtic Name: heptyl (5E)-5-[methoxy(oxidanyl)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxidanylidene-1,4-dihydropyridine-3-carboxylate Openeye Name: heptyl (5E)-5-[hydroxy(methoxy)methylene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylate CAS Name: (5E)-5-[hydroxy(methoxy)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylic acid heptyl ester IUPAC Name: heptyl (5E)-5-[hydroxy(methoxy)methylidene]-2-methyl-4-(3-nitrophenyl)-6-oxo-1,4-dihydropyridine-3-carboxylate Traditional Name: (5E)-5-[hydroxy(methoxy)methylene]-6-keto-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid heptyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(NC(=O)C(=C(O)OC)C1C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(NC(=O)/C(=C(\O)/OC)/C1C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N2O7/c1-4-5-6-7-8-12-31-22(27)17-14(2)23-20(25)19(21(26)30-3)18(17)15-10-9-11-16(13-15)24(28)29/h9-11,13,18,26H,4-8,12H2,1-3H3,(H,23,25)/b21-19+