2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H13F3N2O6 MolecularWeight: 386.27943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H13F3N2O6/c1-6-11(14(22)23)13(12(15(24)25)7(2)20-6)9-4-3-8(21(26)27)5-10(9)16(17,18)19/h3-5,13,20H,1-2H3,(H,22,23)(H,24,25)