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

Systemtic Name: N-(cyanomethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-phenyl-acetamide Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5/c19-8-9-20(12-4-2-1-3-5-12)16(23)11-21-17(24)14-7-6-13(22(26)27)10-15(14)18(21)25/h1-7,10H,9,11H2