dimethyl 2-[2-[2-chloranyl-5-(3-methylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-5-(3-methylphenyl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-5-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-5-[(3-methylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-5-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2-chloro-5-m-toluoyl-pyrrol-1-yl)ethyl]malonic acid dimethyl ester Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C19H20ClNO5/c1-12-5-4-6-13(11-12)17(22)15-7-8-16(20)21(15)10-9-14(18(23)25-2)19(24)26-3/h4-8,11,14H,9-10H2,1-3H3