dimethyl 2-[2-[2-bromanyl-5-(4-chlorophenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-bromanyl-5-(4-chlorophenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-bromo-5-(4-chlorobenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-bromo-5-[(4-chlorophenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-bromo-5-(4-chlorobenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-bromo-5-(4-chlorobenzoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C18H17BrClNO5 MolecularWeight: 442.68828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1Br)C(=O)C2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1Br)C(=O)C2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H17BrClNO5/c1-25-17(23)13(18(24)26-2)9-10-21-14(7-8-15(21)19)16(22)11-3-5-12(20)6-4-11/h3-8,13H,9-10H2,1-2H3