ethanedioate; 2-(fluoranylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ethanedioate; 2-(fluoranylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-(fluoromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; oxalate CAS Name: 2-(fluoromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; oxalate IUPAC Name: 2-(fluoromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; oxalate Traditional Name: 2-(fluoromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; oxalate Formula: C17H11FN2O10-4 MolecularWeight: 422.275043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O6.C2H2O4/c1-7-11(14(19)20)12(13(15(21)22)10(6-16)17-7)8-3-2-4-9(5-8)18(23)24;3-1(4)2(5)6/h2-5,12,17H,6H2,1H3,(H,19,20)(H,21,22);(H,3,4)(H,5,6)/p-4