[4-(phenylcarbonyl)phenyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: (4-benzoylphenyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-benzoylphenyl) ester Formula: C20H12BrNO5 MolecularWeight: 426.21698

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(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrNO5/c21-17-11-8-15(12-18(17)22(25)26)20(24)27-16-9-6-14(7-10-16)19(23)13-4-2-1-3-5-13/h1-12H