ethyl 5-cyano-2-(3-fluoranyl-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(3-fluoranyl-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-(3-fluoro-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-(3-fluoro-3-phenylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-(3-fluoro-3-phenylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-(3-fluoro-3-phenyl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CCC(C3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CCC(C3=CC=CC=C3)F

InChI

InChI=1S/C25H24FN3O4/c1-3-33-25(30)24-22(13-12-21(26)17-8-5-4-6-9-17)28-16(2)20(15-27)23(24)18-10-7-11-19(14-18)29(31)32/h4-11,14,21,23,28H,3,12-13H2,1-2H3