tert-butyl 2-cyano-5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-cyano-5-(7-fluoro-3,3-dimethyl-2-oxo-indolin-5-yl)pyrrole-1-carboxylate CAS Name: 2-cyano-5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrrole-1-carboxylate Traditional Name: 2-cyano-5-(7-fluoro-2-keto-3,3-dimethyl-indolin-5-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)F)NC1=O)C

Isomeric SMILES

CC1(C2=C(C(=CC(=C2)C3=CC=C(N3C(=O)OC(C)(C)C)C#N)F)NC1=O)C

InChI

InChI=1S/C20H20FN3O3/c1-19(2,3)27-18(26)24-12(10-22)6-7-15(24)11-8-13-16(14(21)9-11)23-17(25)20(13,4)5/h6-9H,1-5H3,(H,23,25)