(6-bromanylnaphthalen-2-yl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (6-bromo-2-naphthyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (6-bromo-2-naphthyl) ester Formula: C22H16BrNO4 MolecularWeight: 438.27074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C22H16BrNO4/c23-16-9-7-15-13-17(10-8-14(15)12-16)28-20(25)6-3-11-24-21(26)18-4-1-2-5-19(18)22(24)27/h1-2,4-5,7-10,12-13H,3,6,11H2