1,3-benzodioxol-5-yl 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-bromo-1,3-dioxo-2-isoindolyl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H12BrNO6 MolecularWeight: 418.19498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C18H12BrNO6/c19-10-1-3-12-13(7-10)18(23)20(17(12)22)6-5-16(21)26-11-2-4-14-15(8-11)25-9-24-14/h1-4,7-8H,5-6,9H2