N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C19H13N3O8 MolecularWeight: 411.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OCO2

InChI

InChI=1S/C19H13N3O8/c1-9(23)12-5-15-16(30-8-29-15)6-14(12)20-17(24)7-21-18(25)11-3-2-10(22(27)28)4-13(11)19(21)26/h2-6H,7-8H2,1H3,(H,20,24)