[4-(phenylcarbonyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3,5-dinitrobenzoate Openeye Name: (4-benzoylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-benzoylphenyl) ester Formula: C20H12N2O7 MolecularWeight: 392.31848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N2O7/c23-19(13-4-2-1-3-5-13)14-6-8-18(9-7-14)29-20(24)15-10-16(21(25)26)12-17(11-15)22(27)28/h1-12H