2-(fluoranylmethyl)-4-(5-methoxy-2-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2-(fluoranylmethyl)-4-(5-methoxy-2-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-(fluoromethyl)-4-(5-methoxy-2-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(fluoromethyl)-4-(5-methoxy-2-nitrophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-(fluoromethyl)-4-(5-methoxy-2-nitrophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(fluoromethyl)-4-(5-methoxy-2-nitro-phenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C16H13FN2O7-2 MolecularWeight: 364.282023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O7/c1-7-12(15(20)21)13(14(16(22)23)10(6-17)18-7)9-5-8(26-2)3-4-11(9)19(24)25/h3-5,13,18H,6H2,1-2H3,(H,20,21)(H,22,23)/p-2