1-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]propane-1-sulfonic acid

Systemtic Name: 1-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]propane-1-sulfonic acid Openeye Name: 1-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]propane-1-sulfonic acid CAS Name: 1-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]-1-propanesulfonic acid IUPAC Name: 1-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]propane-1-sulfonic acid Traditional Name: 1-[3,5-dicarbethoxy-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-1-yl]propane-1-sulfonic acid Formula: C22H28N2O9S MolecularWeight: 496.53072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C(=C(C(C(=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)S(=O)(=O)O

Isomeric SMILES

CCC(N1C(=C(C(C(=C1C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)S(=O)(=O)O

InChI

InChI=1S/C22H28N2O9S/c1-6-17(34(29,30)31)23-13(4)18(21(25)32-7-2)20(19(14(23)5)22(26)33-8-3)15-10-9-11-16(12-15)24(27)28/h9-12,17,20H,6-8H2,1-5H3,(H,29,30,31)