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

Systemtic Name: dimethyl 5-[3-(2-cyanoethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(2-cyanoacetyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-(2-cyano-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2-cyanoacetyl)-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(2-cyanoacetyl)-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CC#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CC#N

InChI

InChI=1S/C19H18N2O5/c1-11-7-16(17(22)5-6-20)12(2)21(11)15-9-13(18(23)25-3)8-14(10-15)19(24)26-4/h7-10H,5H2,1-4H3