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

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])SCC#N

InChI

InChI=1S/C16H12ClN3O4S/c17-11-5-6-14(13(9-11)20(22)23)24-10-16(21)19-12-3-1-2-4-15(12)25-8-7-18/h1-6,9H,8,10H2,(H,19,21)