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

Systemtic Name: 2,8-dimethylpyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Openeye Name: 2,8-dimethylpyrido[3,2-g]quinoline; picric acid CAS Name: 2,8-dimethylpyrido[3,2-g]quinoline; 2,4,6-trinitrophenol IUPAC Name: 2,8-dimethylpyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Traditional Name: 2,8-dimethylpyrido[3,2-g]quinoline; picric acid Formula: C26H18N8O14 MolecularWeight: 666.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC3=C(C=CC(=N3)C)C=C2C=C1.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

CC1=NC2=CC3=C(C=CC(=N3)C)C=C2C=C1.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/C14H12N2.2C6H3N3O7/c1-9-3-5-11-7-12-6-4-10(2)16-14(12)8-13(11)15-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-8H,1-2H3;2*1-2,10H