N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-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-piperonyl-acetamide Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-2-21(9-12-6-7-15-16(8-12)30-11-29-15)17(24)10-22-19(25)13-4-3-5-14(23(27)28)18(13)20(22)26/h3-8H,2,9-11H2,1H3