2-[4-(hydroxymethyl)-2-nitro-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(hydroxymethyl)-2-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-(hydroxymethyl)-2-nitro-phenoxy]acetonitrile CAS Name: 2-[4-(hydroxymethyl)-2-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-(hydroxymethyl)-2-nitrophenoxy]acetonitrile Traditional Name: 2-(4-methylol-2-nitro-phenoxy)acetonitrile Formula: C9H8N2O4 MolecularWeight: 208.17082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CO)[N+](=O)[O-])OCC#N

Isomeric SMILES

C1=CC(=C(C=C1CO)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C9H8N2O4/c10-3-4-15-9-2-1-7(6-12)5-8(9)11(13)14/h1-2,5,12H,4,6H2