(4-bromophenyl)methyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-bromophenyl)methyl 2-(4-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(4-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(4-nitrophenyl)isoindoline-5-carboxylic acid (4-bromobenzyl) ester Formula: C22H13BrN2O6 MolecularWeight: 481.25242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

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