methyl (2S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbonylamino]-4-chloranyl-4-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbonylamino]-4-chloranyl-4-oxidanylidene-butanoate Openeye Name: methyl (2S)-4-chloro-2-[(1,3-dioxoisoindoline-2-carbonyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-chloro-2-[[(1,3-dioxo-2-isoindolyl)-oxomethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-4-chloro-2-[(1,3-dioxoisoindole-2-carbonyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-chloro-2-[(1,3-diketoisoindoline-2-carbonyl)amino]-4-keto-butyric acid methyl ester Formula: C14H11ClN2O6 MolecularWeight: 338.69994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)Cl)NC(=O)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CC(=O)Cl)NC(=O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H11ClN2O6/c1-23-13(21)9(6-10(15)18)16-14(22)17-11(19)7-4-2-3-5-8(7)12(17)20/h2-5,9H,6H2,1H3,(H,16,22)/t9-/m0/s1