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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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