O5-(8-bromanyloctyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(8-bromanyloctyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(8-bromooctyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(8-bromooctyl) ester O3-methyl ester IUPAC Name: 5-O-(8-bromooctyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(8-bromooctyl) ester O3-methyl ester Formula: C24H31BrN2O6 MolecularWeight: 523.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O6/c1-16-20(23(28)32-3)22(18-11-10-12-19(15-18)27(30)31)21(17(2)26-16)24(29)33-14-9-7-5-4-6-8-13-25/h10-12,15,22,26H,4-9,13-14H2,1-3H3