diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfooxyethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfooxyethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfooxyethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfooxyethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfooxyethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-sulfoxyethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H26N2O10S MolecularWeight: 498.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CCOS(=O)(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)CCOS(=O)(=O)O)C

InChI

InChI=1S/C21H26N2O10S/c1-5-31-20(24)17-13(3)22(10-11-33-34(28,29)30)14(4)18(21(25)32-6-2)19(17)15-8-7-9-16(12-15)23(26)27/h7-9,12,19H,5-6,10-11H2,1-4H3,(H,28,29,30)