2-[3,4-bis(oxidanyl)phenyl]-2-nitro-ethanenitrile

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-2-nitro-ethanenitrile Openeye Name: 2-(3,4-dihydroxyphenyl)-2-nitro-acetonitrile CAS Name: 2-(3,4-dihydroxyphenyl)-2-nitroacetonitrile IUPAC Name: 2-(3,4-dihydroxyphenyl)-2-nitroacetonitrile Traditional Name: 2-(3,4-dihydroxyphenyl)-2-nitro-acetonitrile Formula: C8H6N2O4 MolecularWeight: 194.14424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C#N)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1C(C#N)[N+](=O)[O-])O)O

InChI

InChI=1S/C8H6N2O4/c9-4-6(10(13)14)5-1-2-7(11)8(12)3-5/h1-3,6,11-12H