2-methyl-1-phenyl-benzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol Openeye Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid; picric acid CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid; 2,4,6-trinitrophenol IUPAC Name: 2-methyl-1-phenylbenzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid; picric acid Formula: C21H15N5O9 MolecularWeight: 481.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O2.C6H3N3O7/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3,(H,18,19);1-2,10H