diethyl 5-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[3-(2-chloranylethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-chloroacetyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CCl)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CCl)C)C(=O)OCC

InChI

InChI=1S/C20H22ClNO5/c1-5-26-19(24)14-8-15(20(25)27-6-2)10-16(9-14)22-12(3)7-17(13(22)4)18(23)11-21/h7-10H,5-6,11H2,1-4H3