N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-nitro-2-prop-2-enyl-phenoxy)ethanamide Openeye Name: 2-(2-allyl-4-nitro-phenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-nitro-2-prop-2-enylphenoxy)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-nitro-2-prop-2-enylphenoxy)acetamide Traditional Name: 2-(2-allyl-4-nitro-phenoxy)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C19H17N3O4S/c1-2-5-14-12-15(22(24)25)8-9-17(14)26-13-19(23)21-16-6-3-4-7-18(16)27-11-10-20/h2-4,6-9,12H,1,5,11,13H2,(H,21,23)