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

Systemtic Name: (4-bromophenyl)methyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-bromophenyl)methyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(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=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br

InChI

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