[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dinitro-benzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-bromo-3,5-dinitro-benzoate CAS Name: 4-bromo-3,5-dinitrobenzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-bromo-3,5-dinitrobenzoate Traditional Name: 4-bromo-3,5-dinitro-benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C15H8BrN3O9 MolecularWeight: 454.14272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8BrN3O9/c16-14-11(18(24)25)5-9(6-12(14)19(26)27)15(21)28-7-13(20)8-1-3-10(4-2-8)17(22)23/h1-6H,7H2