2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(2,5-dimethoxyphenyl)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCN2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O

InChI

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