diethyl 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylate; 2,4,6-trinitrophenol

Systemtic Name: diethyl 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylate; 2,4,6-trinitrophenol Openeye Name: diethyl 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylate; picric acid CAS Name: 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid diethyl ester; 2,4,6-trinitrophenol IUPAC Name: diethyl 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylate; 2,4,6-trinitrophenol Traditional Name: 2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid diethyl ester; picric acid Formula: C32H26N8O18 MolecularWeight: 810.59164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC3=CC(=C(N=C3C=C2N=C1C)C)C(=O)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=CC3=CC(=C(N=C3C=C2N=C1C)C)C(=O)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4.2C6H3N3O7/c1-5-25-19(23)15-8-13-7-14-9-16(20(24)26-6-2)12(4)22-18(14)10-17(13)21-11(15)3;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-10H,5-6H2,1-4H3;2*1-2,10H