N-(cyanomethyl)-2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]ethanamide

Systemtic Name: N-(cyanomethyl)-2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]ethanamide Openeye Name: N-(cyanomethyl)-2-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]acetamide CAS Name: N-(cyanomethyl)-2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]acetamide IUPAC Name: N-(cyanomethyl)-2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]acetamide Traditional Name: N-(cyanomethyl)-2-(2-methoxy-4-methylol-5-nitro-phenoxy)acetamide Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-20-10-4-8(6-16)9(15(18)19)5-11(10)21-7-12(17)14-3-2-13/h4-5,16H,3,6-7H2,1H3,(H,14,17)