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

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 4-bromanyl-3,5-dinitro-benzoate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 4-bromo-3,5-dinitro-benzoate CAS Name: 4-bromo-3,5-dinitrobenzoic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 4-bromo-3,5-dinitrobenzoate Traditional Name: 4-bromo-3,5-dinitro-benzoic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C22H15BrN2O8 MolecularWeight: 515.2671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrN2O8/c23-21-18(24(28)29)10-16(11-19(21)25(30)31)22(27)33-13-20(26)15-6-8-17(9-7-15)32-12-14-4-2-1-3-5-14/h1-11H,12-13H2