N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-ethyl-N-veratryl-acetamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-4-22(11-13-8-9-16(30-2)17(10-13)31-3)18(25)12-23-20(26)14-6-5-7-15(24(28)29)19(14)21(23)27/h5-10H,4,11-12H2,1-3H3