dimethyl 2-[2-[2-chloranyl-5-(4-ethenylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-5-(4-ethenylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-5-(4-vinylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-5-[(4-ethenylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-5-(4-ethenylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-chloro-5-(4-vinylbenzoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CC=C(C=C2)C=C)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C(=CC=C1Cl)C(=O)C2=CC=C(C=C2)C=C)C(=O)OC

InChI

InChI=1S/C20H20ClNO5/c1-4-13-5-7-14(8-6-13)18(23)16-9-10-17(21)22(16)12-11-15(19(24)26-2)20(25)27-3/h4-10,15H,1,11-12H2,2-3H3