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

Systemtic Name: N-(2-cyanoethyl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-phenyl-acetamide Formula: C19H14N4O5 MolecularWeight: 378.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O5/c20-9-4-10-21(13-5-2-1-3-6-13)17(24)12-22-18(25)15-8-7-14(23(27)28)11-16(15)19(22)26/h1-3,5-8,11H,4,10,12H2