2-(2-nitro-5-oxidanyl-phenyl)ethanenitrile

Systemtic Name: 2-(2-nitro-5-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(5-hydroxy-2-nitro-phenyl)acetonitrile CAS Name: 2-(5-hydroxy-2-nitrophenyl)acetonitrile IUPAC Name: 2-(5-hydroxy-2-nitrophenyl)acetonitrile Traditional Name: 2-(5-hydroxy-2-nitro-phenyl)acetonitrile Formula: C8H6N2O3 MolecularWeight: 178.14484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1O)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O3/c9-4-3-6-5-7(11)1-2-8(6)10(12)13/h1-2,5,11H,3H2