2-[2-nitro-4,5-bis(oxidanyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-nitro-4,5-bis(oxidanyl)phenyl]ethanenitrile Openeye Name: 2-(4,5-dihydroxy-2-nitro-phenyl)acetonitrile CAS Name: 2-(4,5-dihydroxy-2-nitrophenyl)acetonitrile IUPAC Name: 2-(4,5-dihydroxy-2-nitrophenyl)acetonitrile Traditional Name: 2-(4,5-dihydroxy-2-nitro-phenyl)acetonitrile Formula: C8H6N2O4 MolecularWeight: 194.14424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O4/c9-2-1-5-3-7(11)8(12)4-6(5)10(13)14/h3-4,11-12H,1H2