diethyl (4Z)-4-(2-ethoxy-1-nitro-2-oxidanylidene-ethylidene)-3-fluoranyl-1-(phenylmethyl)pyridine-2,6-dicarboxylate

Systemtic Name: diethyl (4Z)-4-(2-ethoxy-1-nitro-2-oxidanylidene-ethylidene)-3-fluoranyl-1-(phenylmethyl)pyridine-2,6-dicarboxylate Openeye Name: diethyl (4Z)-1-benzyl-4-(2-ethoxy-1-nitro-2-oxo-ethylidene)-3-fluoro-pyridine-2,6-dicarboxylate CAS Name: (4Z)-4-(2-ethoxy-1-nitro-2-oxoethylidene)-3-fluoro-1-(phenylmethyl)pyridine-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4Z)-1-benzyl-4-(2-ethoxy-1-nitro-2-oxoethylidene)-3-fluoropyridine-2,6-dicarboxylate Traditional Name: (4Z)-1-benzyl-4-(2-ethoxy-2-keto-1-nitro-ethylidene)-3-fluoro-pyridine-2,6-dicarboxylic acid diethyl ester Formula: C22H23FN2O8 MolecularWeight: 462.425023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=O)OCC)[N+](=O)[O-])C(=C(N1CC2=CC=CC=C2)C(=O)OCC)F

Isomeric SMILES

CCOC(=O)C1=C/C(=C(\C(=O)OCC)/[N+](=O)[O-])/C(=C(N1CC2=CC=CC=C2)C(=O)OCC)F

InChI

InChI=1S/C22H23FN2O8/c1-4-31-20(26)16-12-15(18(25(29)30)21(27)32-5-2)17(23)19(22(28)33-6-3)24(16)13-14-10-8-7-9-11-14/h7-12H,4-6,13H2,1-3H3/b18-15-