phenacyl 4-bromanyl-3,5-dinitro-benzoate

Systemtic Name: phenacyl 4-bromanyl-3,5-dinitro-benzoate Openeye Name: phenacyl 4-bromo-3,5-dinitro-benzoate CAS Name: 4-bromo-3,5-dinitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 4-bromo-3,5-dinitrobenzoate Traditional Name: 4-bromo-3,5-dinitro-benzoic acid phenacyl ester Formula: C15H9BrN2O7 MolecularWeight: 409.14516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrN2O7/c16-14-11(17(21)22)6-10(7-12(14)18(23)24)15(20)25-8-13(19)9-4-2-1-3-5-9/h1-7H,8H2