7a-(3-bromanylpropyl)-4,5-dimethoxy-3aH-isoindole-1,3-dione

Systemtic Name: 7a-(3-bromanylpropyl)-4,5-dimethoxy-3aH-isoindole-1,3-dione Openeye Name: 7a-(3-bromopropyl)-4,5-dimethoxy-3aH-isoindole-1,3-dione CAS Name: 7a-(3-bromopropyl)-4,5-dimethoxy-3aH-isoindole-1,3-dione IUPAC Name: 7a-(3-bromopropyl)-4,5-dimethoxy-3aH-isoindole-1,3-dione Traditional Name: 7a-(3-bromopropyl)-4,5-dimethoxy-3aH-isoindole-1,3-quinone Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2C(=O)NC(=O)C2(C=C1)CCCBr)OC

Isomeric SMILES

COC1=C(C2C(=O)NC(=O)C2(C=C1)CCCBr)OC

InChI

InChI=1S/C13H16BrNO4/c1-18-8-4-6-13(5-3-7-14)9(10(8)19-2)11(16)15-12(13)17/h4,6,9H,3,5,7H2,1-2H3,(H,15,16,17)