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

Systemtic Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanenitrile Openeye Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanenitrile CAS Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanenitrile IUPAC Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanenitrile Traditional Name: 4-(2-methoxy-4-methylol-5-nitro-phenoxy)butyronitrile Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-18-11-6-9(8-15)10(14(16)17)7-12(11)19-5-3-2-4-13/h6-7,15H,2-3,5,8H2,1H3