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

Systemtic Name: phenacyl 2-(4-bromophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(4-bromophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-bromophenyl)-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-bromophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-bromophenyl)-1,3-diketo-isoindoline-5-carboxylic acid phenacyl ester Formula: C23H14BrNO5 MolecularWeight: 464.26496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H14BrNO5/c24-16-7-9-17(10-8-16)25-21(27)18-11-6-15(12-19(18)22(25)28)23(29)30-13-20(26)14-4-2-1-3-5-14/h1-12H,13H2