N-[2-(cyanomethylsulfanyl)phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(1,3-diketo-5-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=C(C=C3)[N+](=O)[O-])SCC#N

Isomeric SMILES

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

InChI

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