tert-butyl 2-(5-chloranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-(5-chloranyl-1H-indol-3-yl)-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-(5-chloro-1H-indol-3-yl)-2-oxo-acetate CAS Name: 2-(5-chloro-1H-indol-3-yl)-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate Traditional Name: 2-(5-chloro-1H-indol-3-yl)-2-keto-acetic acid tert-butyl ester Formula: C14H14ClNO3 MolecularWeight: 279.71886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C14H14ClNO3/c1-14(2,3)19-13(18)12(17)10-7-16-11-5-4-8(15)6-9(10)11/h4-7,16H,1-3H3