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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-methylbenzoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H16BrNO4/c1-12-3-5-13(6-4-12)19(24)25-10-2-9-21-17(22)15-8-7-14(20)11-16(15)18(21)23/h3-8,11H,2,9-10H2,1H3