5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid CAS Name: 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-cyano-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-cyano-4-(4-cyanophenyl)-2-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Formula: C22H14F3N3O3 MolecularWeight: 425.36007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)O)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C22H14F3N3O3/c1-12-17(11-27)18(14-7-5-13(10-26)6-8-14)19(21(30)31)20(29)28(12)16-4-2-3-15(9-16)22(23,24)25/h2-9,18-19H,1H3,(H,30,31)