(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H14BrNO6 MolecularWeight: 432.22156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H14BrNO6/c1-21-17(22)12-3-2-10(6-13(12)18(21)23)19(24)27-9-11-7-15-16(8-14(11)20)26-5-4-25-15/h2-3,6-8H,4-5,9H2,1H3