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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl benzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl benzoate CAS Name: benzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl benzoate Traditional Name: benzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C18H14BrNO4 MolecularWeight: 388.21206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO4/c19-13-7-8-14-15(11-13)17(22)20(16(14)21)9-4-10-24-18(23)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2