6-nitro-1,3-benzodioxole-5-carbonitrile

Systemtic Name: 6-nitro-1,3-benzodioxole-5-carbonitrile Openeye Name: 6-nitro-1,3-benzodioxole-5-carbonitrile CAS Name: 6-nitro-1,3-benzodioxole-5-carbonitrile IUPAC Name: 6-nitro-1,3-benzodioxole-5-carbonitrile Traditional Name: 6-nitro-piperonylonitrile Formula: C8H4N2O4 MolecularWeight: 192.12836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2O4/c9-3-5-1-7-8(14-4-13-7)2-6(5)10(11)12/h1-2H,4H2