2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3H-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3H-isoindol-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-isoindolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3H-isoindol-1-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-3H-isoindol-1-one Traditional Name: 2-homoveratryl-4-nitro-isoindolin-1-one Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC3=C(C2=O)C=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O5/c1-24-16-7-6-12(10-17(16)25-2)8-9-19-11-14-13(18(19)21)4-3-5-15(14)20(22)23/h3-7,10H,8-9,11H2,1-2H3