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

Systemtic Name: 2-[[4-(phenacylamino)phenyl]amino]-1-phenyl-ethanone; 2,4,6-trinitrophenol Openeye Name: 2-[4-(phenacylamino)anilino]-1-phenyl-ethanone; picric acid CAS Name: 2-[4-(phenacylamino)anilino]-1-phenylethanone; 2,4,6-trinitrophenol IUPAC Name: 2-[4-(phenacylamino)anilino]-1-phenylethanone; 2,4,6-trinitrophenol Traditional Name: 2-[4-(phenacylamino)anilino]-1-phenyl-ethanone; picric acid Formula: C34H26N8O16 MolecularWeight: 802.61424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CNC2=CC=C(C=C2)NCC(=O)C3=CC=CC=C3.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=C(C=C2)NCC(=O)C3=CC=CC=C3.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/C22H20N2O2.2C6H3N3O7/c25-21(17-7-3-1-4-8-17)15-23-19-11-13-20(14-12-19)24-16-22(26)18-9-5-2-6-10-18;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14,23-24H,15-16H2;2*1-2,10H