N-(2-cyanoethyl)-2-[4-(hydroxymethyl)-2-nitro-phenoxy]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(hydroxymethyl)-2-nitro-phenoxy]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(hydroxymethyl)-2-nitro-phenoxy]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(hydroxymethyl)-2-nitrophenoxy]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(hydroxymethyl)-2-nitrophenoxy]acetamide Traditional Name: N-(2-cyanoethyl)-2-(4-methylol-2-nitro-phenoxy)acetamide Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c13-4-1-5-14-12(17)8-20-11-3-2-9(7-16)6-10(11)15(18)19/h2-3,6,16H,1,5,7-8H2,(H,14,17)