2-methyl-1-(phenylmethyl)benzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-methyl-1-(phenylmethyl)benzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol Openeye Name: 1-benzyl-2-methyl-benzimidazole-5-carboxylic acid; picric acid CAS Name: 2-methyl-1-(phenylmethyl)-5-benzimidazolecarboxylic acid; 2,4,6-trinitrophenol IUPAC Name: 1-benzyl-2-methylbenzimidazole-5-carboxylic acid; 2,4,6-trinitrophenol Traditional Name: 1-benzyl-2-methyl-benzimidazole-5-carboxylic acid; picric acid Formula: C22H17N5O9 MolecularWeight: 495.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=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(N1CC3=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/C16H14N2O2.C6H3N3O7/c1-11-17-14-9-13(16(19)20)7-8-15(14)18(11)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,10H2,1H3,(H,19,20);1-2,10H