2-(fluoranylmethyl)-6-methyl-4-(2-methyl-3-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(fluoranylmethyl)-6-methyl-4-(2-methyl-3-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(fluoromethyl)-6-methyl-4-(2-methyl-3-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(fluoromethyl)-6-methyl-4-(2-methyl-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(fluoromethyl)-6-methyl-4-(2-methyl-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(fluoromethyl)-6-methyl-4-(2-methyl-3-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H15FN2O6 MolecularWeight: 350.298503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)CF)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)CF)C)C(=O)O

InChI

InChI=1S/C16H15FN2O6/c1-7-9(4-3-5-11(7)19(24)25)13-12(15(20)21)8(2)18-10(6-17)14(13)16(22)23/h3-5,13,18H,6H2,1-2H3,(H,20,21)(H,22,23)