2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]ethanenitrile

Systemtic Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]ethanenitrile Openeye Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]acetonitrile CAS Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]acetonitrile IUPAC Name: 2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]acetonitrile Traditional Name: 2-(2-methoxy-4-methylol-5-nitro-phenoxy)acetonitrile Formula: C10H10N2O5 MolecularWeight: 238.1968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C10H10N2O5/c1-16-9-4-7(6-13)8(12(14)15)5-10(9)17-3-2-11/h4-5,13H,3,6H2,1H3