methyl (3S,6S,8S,9aR)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-chloranyl-5-oxidanylidene-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylate

Systemtic Name: methyl (3S,6S,8S,9aR)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-chloranyl-5-oxidanylidene-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylate Openeye Name: methyl (3S,6S,8S,9aR)-8-chloro-6-(1,3-dioxoisoindolin-2-yl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylate CAS Name: (3S,6S,8S,9aR)-8-chloro-6-(1,3-dioxo-2-isoindolyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S,8S,9aR)-8-chloro-6-(1,3-dioxoisoindol-2-yl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxylate Traditional Name: (3S,6S,8S,9aR)-8-chloro-5-keto-6-phthalimido-1,2,3,6,7,8,9,9a-octahydropyrrol[1,2-a]azepine-3-carboxylic acid methyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2N1C(=O)C(CC(C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](C[C@H](C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19ClN2O5/c1-27-19(26)14-7-6-11-8-10(20)9-15(18(25)21(11)14)22-16(23)12-4-2-3-5-13(12)17(22)24/h2-5,10-11,14-15H,6-9H2,1H3/t10-,11+,14-,15-/m0/s1