ethyl (2Z)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3-oxidanylidene-isoindol-1-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-3-oxidanylidene-isoindol-1-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-3-oxo-isoindolin-1-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-3-oxo-1-isoindolylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-3-oxoisoindol-1-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[2-(4-bromo-2-fluoro-benzyl)-6-chloro-3-keto-isoindolin-1-ylidene]-2-cyano-acetic acid ethyl ester Formula: C20H13BrClFN2O3 MolecularWeight: 463.684223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)/C#N

InChI

InChI=1S/C20H13BrClFN2O3/c1-2-28-20(27)16(9-24)18-15-8-13(22)5-6-14(15)19(26)25(18)10-11-3-4-12(21)7-17(11)23/h3-8H,2,10H2,1H3/b18-16-