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

Systemtic Name: dimethyl 4-(4-chloranyl-3-nitro-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(4-chloro-3-nitro-phenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-chloro-3-nitrophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-1-(4-fluorobenzyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H18ClFN2O6 MolecularWeight: 460.839523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O6/c1-31-21(27)16-11-25(10-13-3-6-15(24)7-4-13)12-17(22(28)32-2)20(16)14-5-8-18(23)19(9-14)26(29)30/h3-9,11-12,20H,10H2,1-2H3