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

Systemtic Name: O5-(1-bromanyl-2-methyl-propan-2-yl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-bromo-1,1-dimethyl-ethyl) 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-(1-bromo-2-methylpropan-2-yl) ester O3-methyl ester IUPAC Name: 5-O-(1-bromo-2-methylpropan-2-yl) 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-(2-bromo-1,1-dimethyl-ethyl) 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)OC(C)(C)CBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

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