2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-homoveratryl-4-nitro-isoindoline-1,3-quinone Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-25-14-7-6-11(10-15(14)26-2)8-9-19-17(21)12-4-3-5-13(20(23)24)16(12)18(19)22/h3-7,10H,8-9H2,1-2H3