O3-(6-bromanylhexyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-(6-bromanylhexyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-(6-bromohexyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-(6-bromohexyl) ester O5-methyl ester IUPAC Name: 3-O-(6-bromohexyl) 5-O-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-(6-bromohexyl) ester O5-methyl ester Formula: C22H26BrN3O6 MolecularWeight: 508.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCCBr)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCCCBr)C(=O)OC

InChI

InChI=1S/C22H26BrN3O6/c1-15-18(20(27)31-2)13-22(19(14-24)25-15,16-7-9-17(10-8-16)26(29)30)21(28)32-12-6-4-3-5-11-23/h7-10,19,25H,3-6,11-13H2,1-2H3