N-[(3,4-dimethoxyphenyl)methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-veratryl-acetamide Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17N3O7/c1-28-15-6-3-11(7-16(15)29-2)9-20-17(23)10-21-18(24)13-5-4-12(22(26)27)8-14(13)19(21)25/h3-8H,9-10H2,1-2H3,(H,20,23)