2-[(3-aminophenyl)amino]-1-phenyl-ethanone; 2,4,6-trinitrophenol

Systemtic Name: 2-[(3-aminophenyl)amino]-1-phenyl-ethanone; 2,4,6-trinitrophenol Openeye Name: 2-(3-aminoanilino)-1-phenyl-ethanone; picric acid CAS Name: 2-(3-aminoanilino)-1-phenylethanone; 2,4,6-trinitrophenol IUPAC Name: 2-(3-aminoanilino)-1-phenylethanone; 2,4,6-trinitrophenol Traditional Name: 2-(3-aminoanilino)-1-phenyl-ethanone; picric acid Formula: C26H20N8O15 MolecularWeight: 684.4816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CNC2=CC=CC(=C2)N.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

C1=CC=C(C=C1)C(=O)CNC2=CC=CC(=C2)N.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/C14H14N2O.2C6H3N3O7/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9,16H,10,15H2;2*1-2,10H