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

Systemtic Name: 2-(6-nitro-1,3-benzodioxol-5-yl)ethanenitrile Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile CAS Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile IUPAC Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile Formula: C9H6N2O4 MolecularWeight: 206.15494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4/c10-2-1-6-3-8-9(15-5-14-8)4-7(6)11(12)13/h3-4H,1,5H2