5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Systemtic Name: 5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Openeye Name: 5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile CAS Name: 5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile IUPAC Name: 5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Traditional Name: 5-nitro-8-oxabicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile Formula: C8H4N2O3 MolecularWeight: 176.12896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(OC2=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(OC2=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H4N2O3/c9-4-7-8-5(10(11)12)2-1-3-6(8)13-7/h1-3,7H