[4-(4-cyanophenyl)phenyl] 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5-bromo-1,3-dioxo-2-isoindolyl)acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(5-bromo-1,3-diketo-isoindolin-2-yl)acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H13BrN2O4 MolecularWeight: 461.26432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C23H13BrN2O4/c24-17-7-10-19-20(11-17)23(29)26(22(19)28)13-21(27)30-18-8-5-16(6-9-18)15-3-1-14(12-25)2-4-15/h1-11H,13H2