1-butyl-6-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-phenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid

Systemtic Name: 1-butyl-6-[2-(2-ethoxy-2-oxidanylidene-ethoxy)-5-nitro-phenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid Openeye Name: 1-butyl-6-[2-(2-ethoxy-2-oxo-ethoxy)-5-nitro-phenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid CAS Name: 1-butyl-6-[2-(2-ethoxy-2-oxoethoxy)-5-nitrophenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid IUPAC Name: 1-butyl-6-[2-(2-ethoxy-2-oxoethoxy)-5-nitrophenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid Traditional Name: 1-butyl-6-[2-(2-ethoxy-2-keto-ethoxy)-5-nitro-phenyl]-1,2-dimethyl-4H-pyridin-1-ium-3,4-dicarboxylic acid Formula: C23H29N2O9+ MolecularWeight: 477.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=C(C(C=C1C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)OCC)C(=O)O)C(=O)O)C)C

Isomeric SMILES

CCCC[N+]1(C(=C(C(C=C1C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)OCC)C(=O)O)C(=O)O)C)C

InChI

InChI=1S/C23H28N2O9/c1-5-7-10-25(4)14(3)21(23(29)30)17(22(27)28)12-18(25)16-11-15(24(31)32)8-9-19(16)34-13-20(26)33-6-2/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H-,27,28,29,30)/p+1