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

Systemtic Name: O3-ethyl O5-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-[2-(2-oxopyrrolidin-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 O3-ethyl ester O5-[2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: 3-O-ethyl 5-O-[2-(2-oxopyrrolidin-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 O3-ethyl ester O5-[2-(2-ketopyrrolidino)ethyl] ester Formula: C23H21F6N3O7 MolecularWeight: 565.419159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN3CCCC3=O)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)OCCN3CCCC3=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H21F6N3O7/c1-2-38-20(34)16-15(12-5-3-6-13(11-12)32(36)37)17(19(23(27,28)29)30-18(16)22(24,25)26)21(35)39-10-9-31-8-4-7-14(31)33/h3,5-6,11,15,30H,2,4,7-10H2,1H3