ethyl 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-cyano-7-methyl-2-oxidanylidene-indol-3-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-cyano-7-methyl-2-oxidanylidene-indol-3-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-3-cyano-7-methyl-2-oxo-indolin-3-yl]-2-cyano-acetate CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-3-cyano-7-methyl-2-oxo-3-indolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-bromo-2-fluorophenyl)methyl]-3-cyano-7-methyl-2-oxoindol-3-yl]-2-cyanoacetate Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-3-cyano-2-keto-7-methyl-indolin-3-yl]-2-cyano-acetic acid ethyl ester Formula: C22H17BrFN3O3 MolecularWeight: 470.291083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=C(C(=CC=C2)C)N(C1=O)CC3=C(C=C(C=C3)Br)F)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=C(C(=CC=C2)C)N(C1=O)CC3=C(C=C(C=C3)Br)F)C#N

InChI

InChI=1S/C22H17BrFN3O3/c1-3-30-20(28)17(10-25)22(12-26)16-6-4-5-13(2)19(16)27(21(22)29)11-14-7-8-15(23)9-18(14)24/h4-9,17H,3,11H2,1-2H3