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

Systemtic Name: (4-bromophenyl)methyl 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (4-bromophenyl)methyl 2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-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(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)Br

InChI

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