2-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanyl-ethanenitrile

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanyl-ethanenitrile Openeye Name: 2-hydroxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile CAS Name: 2-hydroxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile IUPAC Name: 2-hydroxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile Traditional Name: 2-hydroxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(C#N)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(C#N)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O5/c10-3-7(12)5-1-8-9(16-4-15-8)2-6(5)11(13)14/h1-2,7,12H,4H2