2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-homoveratryl-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18N2O6/c1-29-18-7-6-13(10-19(18)30-2)8-9-23-21(25)16-5-3-4-14-11-15(24(27)28)12-17(20(14)16)22(23)26/h3-7,10-12H,8-9H2,1-2H3