O1-methyl O3-(1-sulfonylhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(1-sulfonylhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate Openeye Name: O1-methyl O3-(1-sulfonylhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylic acid O1-methyl ester O3-(1-sulfonylhexyl) ester IUPAC Name: 1-O-methyl 3-O-(1-sulfonylhexyl) 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-1,3-dicarboxylic acid O1-methyl ester O3-(1-sulfonylhexyl) ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=S(=O)=O)OC(=O)C1=C(N(C(=CC1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CCCCCC(=S(=O)=O)OC(=O)C1=C(N(C(=CC1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C22H26N2O8S/c1-5-6-7-11-19(33(29)30)32-21(25)20-15(3)23(22(26)31-4)14(2)12-18(20)16-9-8-10-17(13-16)24(27)28/h8-10,12-13,18H,5-7,11H2,1-4H3