tert-butyl (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoate Traditional Name: (2S)-2-(3,4-dichloro-2-keto-3-pyrrolin-1-yl)-3-phenyl-propionic acid tert-butyl ester Formula: C17H19Cl2NO3 MolecularWeight: 356.24366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N2CC(=C(C2=O)Cl)Cl

InChI

InChI=1S/C17H19Cl2NO3/c1-17(2,3)23-16(22)13(9-11-7-5-4-6-8-11)20-10-12(18)14(19)15(20)21/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1