2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]isoindole-1,3-dione

Systemtic Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]isoindole-1,3-dione Openeye Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]isoindoline-1,3-dione CAS Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]isoindole-1,3-dione IUPAC Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]isoindole-1,3-dione Traditional Name: 2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]isoindoline-1,3-quinone Formula: C16H9N3O6 MolecularWeight: 339.25916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O6/c20-15-10-3-1-2-4-11(10)16(21)18(15)17-7-9-5-13-14(25-8-24-13)6-12(9)19(22)23/h1-7H,8H2/b17-7+