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

Systemtic Name: bis[2-(2,5-dimethylpyrrol-1-yl)ethyl] 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis[2-(2,5-dimethylpyrrol-1-yl)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 bis[2-(2,5-dimethyl-1-pyrrolyl)ethyl] ester IUPAC Name: bis[2-(2,5-dimethylpyrrol-1-yl)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 bis[2-(2,5-dimethylpyrrol-1-yl)ethyl] ester Formula: C31H30F6N4O6 MolecularWeight: 668.583519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCOC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4C(=CC=C4C)C)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(N1CCOC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4C(=CC=C4C)C)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C31H30F6N4O6/c1-17-8-9-18(2)39(17)12-14-46-28(42)24-23(21-6-5-7-22(16-21)41(44)45)25(27(31(35,36)37)38-26(24)30(32,33)34)29(43)47-15-13-40-19(3)10-11-20(40)4/h5-11,16,23,38H,12-15H2,1-4H3