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

Systemtic Name: O5-(3-bromanylpropyl) O3-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(3-bromopropyl) O3-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-bromopropyl) ester O3-methyl ester IUPAC Name: 5-O-(3-bromopropyl) 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(3-bromopropyl) ester O3-methyl ester Formula: C19H21BrN2O6 MolecularWeight: 453.28384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21BrN2O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,8-9H2,1-3H3/t17-/m0/s1