2-(dimethylamino)-1-phenanthren-2-yl-ethanone; 2,4,6-trinitrophenol

Systemtic Name: 2-(dimethylamino)-1-phenanthren-2-yl-ethanone; 2,4,6-trinitrophenol Openeye Name: 2-(dimethylamino)-1-(2-phenanthryl)ethanone; picric acid CAS Name: 2-(dimethylamino)-1-(2-phenanthrenyl)ethanone; 2,4,6-trinitrophenol IUPAC Name: 2-(dimethylamino)-1-phenanthren-2-ylethanone; 2,4,6-trinitrophenol Traditional Name: 2-(dimethylamino)-1-(2-phenanthryl)ethanone; picric acid Formula: C24H20N4O8 MolecularWeight: 492.4376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17NO.C6H3N3O7/c1-19(2)12-18(20)15-9-10-17-14(11-15)8-7-13-5-3-4-6-16(13)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-11H,12H2,1-2H3;1-2,10H