4-(3-cyanophenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 4-(3-cyanophenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-(3-cyanophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-cyanophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-(3-cyanophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-cyanophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C16H11FN2O4-2 MolecularWeight: 314.267943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CF)C(=O)[O-])C2=CC=CC(=C2)C#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)CF)C(=O)[O-])C2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C16H13FN2O4/c1-8-12(15(20)21)13(10-4-2-3-9(5-10)7-18)14(16(22)23)11(6-17)19-8/h2-5,13,19H,6H2,1H3,(H,20,21)(H,22,23)/p-2