diethyl 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylate; 2,4,6-trinitrophenolate

Systemtic Name: diethyl 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylate; 2,4,6-trinitrophenolate Openeye Name: diethyl 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylate; 2,4,6-trinitrophenolate CAS Name: 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester; 2,4,6-trinitrophenolate IUPAC Name: diethyl 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylate; 2,4,6-trinitrophenolate Traditional Name: 2,4,6-trimethylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester picrate Formula: C20H22N4O11 MolecularWeight: 494.40888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C([NH+]=C1C)C)C(=O)OCC)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C([NH+]=C1C)C)C(=O)OCC)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19NO4.C6H3N3O7/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7H2,1-5H3;1-2,10H