4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2,5-bis(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H11F6NO4 MolecularWeight: 395.253259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)O)C2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)O)C2=C(C=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11F6NO4/c1-6-11(14(26)27)12(9(5-23-6)13(24)25)8-4-7(15(17,18)19)2-3-10(8)16(20,21)22/h2-5,12,23H,1H3,(H,24,25)(H,26,27)