N-[2-(benzimidazol-1-yl)ethyl]-4-methyl-benzamide; 2,4,6-trinitrophenol

Systemtic Name: N-[2-(benzimidazol-1-yl)ethyl]-4-methyl-benzamide; 2,4,6-trinitrophenol Openeye Name: N-[2-(benzimidazol-1-yl)ethyl]-4-methyl-benzamide; picric acid CAS Name: N-[2-(1-benzimidazolyl)ethyl]-4-methylbenzamide; 2,4,6-trinitrophenol IUPAC Name: N-[2-(benzimidazol-1-yl)ethyl]-4-methylbenzamide; 2,4,6-trinitrophenol Traditional Name: N-[2-(benzimidazol-1-yl)ethyl]-4-methyl-benzamide; picric acid Formula: C23H20N6O8 MolecularWeight: 508.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=NC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=NC3=CC=CC=C32.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O.C6H3N3O7/c1-13-6-8-14(9-7-13)17(21)18-10-11-20-12-19-15-4-2-3-5-16(15)20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9,12H,10-11H2,1H3,(H,18,21);1-2,10H