dimethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(3-chloro-4-fluoro-phenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H16ClFN2O6 MolecularWeight: 446.812943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O6/c1-30-20(26)15-10-24(14-7-8-18(23)17(22)9-14)11-16(21(27)31-2)19(15)12-3-5-13(6-4-12)25(28)29/h3-11,19H,1-2H3