2,2,2-trinitro-1-phenyl-ethanone

Systemtic Name: 2,2,2-trinitro-1-phenyl-ethanone Openeye Name: 2,2,2-trinitro-1-phenyl-ethanone CAS Name: 2,2,2-trinitro-1-phenylethanone IUPAC Name: 2,2,2-trinitro-1-phenylethanone Traditional Name: 2,2,2-trinitro-1-phenyl-ethanone Formula: C8H5N3O7 MolecularWeight: 255.1412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H5N3O7/c12-7(6-4-2-1-3-5-6)8(9(13)14,10(15)16)11(17)18/h1-5H