[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2,4-dinitrobenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2,4-dinitrobenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C15H9BrN2O7 MolecularWeight: 409.14516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

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