diethyl 2-cyano-6-(fluoranylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-cyano-6-(fluoranylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-cyano-6-(fluoromethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-cyano-6-(fluoromethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-cyano-6-(fluoromethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-cyano-6-(fluoromethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C#N)CF

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C#N)CF

InChI

InChI=1S/C19H18FN3O6/c1-3-28-18(24)16-13(9-20)22-14(10-21)17(19(25)29-4-2)15(16)11-6-5-7-12(8-11)23(26)27/h5-8,15,22H,3-4,9H2,1-2H3