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

Systemtic Name: tert-butyl (2S)-2-[3,4-bis(chloranyl)-5-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-methyl-pentanoate CAS Name: (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)-4-methylpentanoate Traditional Name: (2S)-2-(3,4-dichloro-2-keto-3-pyrrolin-1-yl)-4-methyl-valeric acid tert-butyl ester Formula: C14H21Cl2NO3 MolecularWeight: 322.22744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)N1CC(=C(C1=O)Cl)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC(=C(C1=O)Cl)Cl

InChI

InChI=1S/C14H21Cl2NO3/c1-8(2)6-10(13(19)20-14(3,4)5)17-7-9(15)11(16)12(17)18/h8,10H,6-7H2,1-5H3/t10-/m0/s1