6-bromanylhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 6-bromanylhexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 6-bromohexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid 6-bromohexyl ester IUPAC Name: 6-bromohexyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid 6-bromohexyl ester Formula: C21H24BrF3N2O4 MolecularWeight: 505.32547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCCCCCCBr

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCCCCCCBr

InChI

InChI=1S/C21H24BrF3N2O4/c1-13-17(20(28)31-12-8-4-3-7-11-22)18(19(27(29)30)14(2)26-13)15-9-5-6-10-16(15)21(23,24)25/h5-6,9-10,18,26H,3-4,7-8,11-12H2,1-2H3