4-(1H-benzimidazol-2-yl)-2-methyl-quinoline; 2,4,6-trinitrophenol

Systemtic Name: 4-(1H-benzimidazol-2-yl)-2-methyl-quinoline; 2,4,6-trinitrophenol Openeye Name: 4-(1H-benzimidazol-2-yl)-2-methyl-quinoline; picric acid CAS Name: 4-(1H-benzimidazol-2-yl)-2-methylquinoline; 2,4,6-trinitrophenol IUPAC Name: 4-(1H-benzimidazol-2-yl)-2-methylquinoline; 2,4,6-trinitrophenol Traditional Name: 4-(1H-benzimidazol-2-yl)-2-methyl-quinoline; picric acid Formula: C23H16N6O7 MolecularWeight: 488.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C3=NC4=CC=CC=C4N3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C3=NC4=CC=CC=C4N3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3.C6H3N3O7/c1-11-10-13(12-6-2-3-7-14(12)18-11)17-19-15-8-4-5-9-16(15)20-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10H,1H3,(H,19,20);1-2,10H