(2-bromanyl-4-methyl-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-bromo-4-methyl-phenyl) ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C19H16BrNO4/c1-12-8-9-16(15(20)11-12)25-17(22)7-4-10-21-18(23)13-5-2-3-6-14(13)19(21)24/h2-3,5-6,8-9,11H,4,7,10H2,1H3