ethyl 2-methyl-5-nitro-6-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-nitro-6-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-6-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-benzyl-2-methyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21F3N2O4 MolecularWeight: 446.41905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C23H21F3N2O4/c1-3-32-22(29)19-14(2)27-18(13-15-9-5-4-6-10-15)21(28(30)31)20(19)16-11-7-8-12-17(16)23(24,25)26/h4-12,20,27H,3,13H2,1-2H3