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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C18H12N4O8 MolecularWeight: 412.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O8/c23-15(20-18(26)19-9-1-4-13-14(5-9)30-8-29-13)7-21-16(24)11-3-2-10(22(27)28)6-12(11)17(21)25/h1-6H,7-8H2,(H2,19,20,23,26)