N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C17H15N3O5S/c1-24-14-7-6-12(20(22)23)10-15(14)25-11-17(21)19-13-4-2-3-5-16(13)26-9-8-18/h2-7,10H,9,11H2,1H3,(H,19,21)