2,2-dimethylpropanoyloxymethyl (4R)-5-bromanyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl (4R)-5-bromanyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl (4R)-5-bromo-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-bromo-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl (4R)-5-bromo-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-bromo-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid pivaloyloxymethyl ester Formula: C20H23BrN2O6 MolecularWeight: 467.31042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O6/c1-11-15(18(24)28-10-29-19(25)20(3,4)5)16(17(21)12(2)22-11)13-7-6-8-14(9-13)23(26)27/h6-9,16,22H,10H2,1-5H3/t16-/m1/s1