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

Systemtic Name: O5-(4-bromanylbutyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(4-bromobutyl) 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-(4-bromobutyl) ester O3-methyl ester IUPAC Name: 5-O-(4-bromobutyl) 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-(4-bromobutyl) ester O3-methyl ester Formula: C20H23BrN2O6 MolecularWeight: 467.31042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O6/c1-12-16(19(24)28-3)18(14-7-6-8-15(11-14)23(26)27)17(13(2)22-12)20(25)29-10-5-4-9-21/h6-8,11,18,22H,4-5,9-10H2,1-3H3