N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC#N

InChI

InChI=1S/C18H12N4O5S/c19-8-9-28-14-7-2-1-5-12(14)20-15(23)10-21-17(24)11-4-3-6-13(22(26)27)16(11)18(21)25/h1-7H,9-10H2,(H,20,23)