O5-[2-(2,5-dimethylpyrrol-1-yl)ethyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[2-(2,5-dimethylpyrrol-1-yl)ethyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-(2,5-dimethylpyrrol-1-yl)ethyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethyl-1-pyrrolyl)ethyl] ester O3-ethyl ester IUPAC Name: 5-O-[2-(2,5-dimethylpyrrol-1-yl)ethyl] 3-O-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(2,5-dimethylpyrrol-1-yl)ethyl] ester O3-ethyl ester Formula: C25H23F6N3O6 MolecularWeight: 575.457039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3C(=CC=C3C)C)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3C(=CC=C3C)C)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H23F6N3O6/c1-4-39-22(35)18-17(15-6-5-7-16(12-15)34(37)38)19(21(25(29,30)31)32-20(18)24(26,27)28)23(36)40-11-10-33-13(2)8-9-14(33)3/h5-9,12,17,32H,4,10-11H2,1-3H3