dimethyl 1-[(4-fluorophenyl)methyl]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[(4-fluorophenyl)methyl]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[(4-fluorophenyl)methyl]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[(4-fluorophenyl)methyl]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(4-fluorophenyl)methyl]-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(4-fluorobenzyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H19FN2O6 MolecularWeight: 426.394463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O6/c1-30-21(26)18-12-24(11-14-6-8-16(23)9-7-14)13-19(22(27)31-2)20(18)15-4-3-5-17(10-15)25(28)29/h3-10,12-13,20H,11H2,1-2H3