(4-bromophenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (4-bromophenyl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-bromophenyl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid (4-bromobenzyl) ester Formula: C22H13BrN2O6 MolecularWeight: 481.25242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13BrN2O6/c23-14-10-8-13(9-11-14)12-31-22(28)15-4-1-2-6-17(15)24-20(26)16-5-3-7-18(25(29)30)19(16)21(24)27/h1-11H,12H2