6-bromanyl-2-[2-(3,4-dimethoxyphenyl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-bromanyl-2-[2-(3,4-dimethoxyphenyl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6-bromo-2-[2-(3,4-dimethoxyphenyl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6-bromo-2-[2-(3,4-dimethoxyphenyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-bromo-2-[2-(3,4-dimethoxyphenyl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6-bromo-2-homoveratryl-benzo[de]isoquinoline-1,3-quinone Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)OC

InChI

InChI=1S/C22H18BrNO4/c1-27-18-9-6-13(12-19(18)28-2)10-11-24-21(25)15-5-3-4-14-17(23)8-7-16(20(14)15)22(24)26/h3-9,12H,10-11H2,1-2H3