phenacyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: phenacyl 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: phenacyl 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid phenacyl ester Formula: C23H14BrNO5 MolecularWeight: 464.26496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

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