(2S)-N-(4-bromanyl-2-chloranyl-phenyl)-1-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4-bromanyl-2-chloranyl-phenyl)-1-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-bromo-2-chloro-phenyl)-1-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4-bromo-2-chlorophenyl)-1-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4-bromo-2-chlorophenyl)-1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-bromo-2-chloro-phenyl)-5-keto-1-(3-keto-4,5-dimethoxy-phthalan-1-yl)pyrrolidine-2-carboxamide Formula: C21H18BrClN2O6 MolecularWeight: 509.73442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)N3C(CCC3=O)C(=O)NC4=C(C=C(C=C4)Br)Cl)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)N3[C@@H](CCC3=O)C(=O)NC4=C(C=C(C=C4)Br)Cl)OC

InChI

InChI=1S/C21H18BrClN2O6/c1-29-15-7-4-11-17(18(15)30-2)21(28)31-20(11)25-14(6-8-16(25)26)19(27)24-13-5-3-10(22)9-12(13)23/h3-5,7,9,14,20H,6,8H2,1-2H3,(H,24,27)/t14-,20?/m0/s1