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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H15BrFNO4 MolecularWeight: 420.229103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H15BrFNO4/c20-13-8-7-12(16(21)10-13)11-26-17(23)6-3-9-22-18(24)14-4-1-2-5-15(14)19(22)25/h1-2,4-5,7-8,10H,3,6,9,11H2