N-[(4-cyano-2-nitro-phenyl)methyl]-2-ethoxy-2-[4-fluoranyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[(4-cyano-2-nitro-phenyl)methyl]-2-ethoxy-2-[4-fluoranyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[(4-cyano-2-nitro-phenyl)methyl]-2-ethoxy-2-(4-fluoro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[(4-cyano-2-nitrophenyl)methyl]-2-ethoxy-2-(4-fluoro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-cyano-2-nitrophenyl)methyl]-2-ethoxy-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(4-cyano-2-nitro-benzyl)-2-ethoxy-2-(4-fluoro-1,3-diketo-isoindolin-2-yl)acetamide Formula: C20H15FN4O6 MolecularWeight: 426.354703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)F

Isomeric SMILES

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)F

InChI

InChI=1S/C20H15FN4O6/c1-2-31-20(24-18(27)13-4-3-5-14(21)16(13)19(24)28)17(26)23-10-12-7-6-11(9-22)8-15(12)25(29)30/h3-8,20H,2,10H2,1H3,(H,23,26)