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

Systemtic Name: O3-(2,2-dimethylpropanoyloxymethyl) O5-methyl (4S)-2-(bromomethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2,2-dimethylpropanoyloxymethyl) O5-methyl (4S)-2-(bromomethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2-(bromomethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[(2,2-dimethyl-1-oxopropoxy)methyl] ester O5-methyl ester IUPAC Name: 3-O-(2,2-dimethylpropanoyloxymethyl) 5-O-methyl (4S)-2-(bromomethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2-(bromomethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-methyl ester O3-(pivaloyloxymethyl) ester Formula: C22H25BrN2O8 MolecularWeight: 525.3465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O8/c1-12-16(19(26)31-5)17(13-7-6-8-14(9-13)25(29)30)18(15(10-23)24-12)20(27)32-11-33-21(28)22(2,3)4/h6-9,17,24H,10-11H2,1-5H3/t17-/m0/s1