methyl 4-[3-(2-cyanoethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-(2-cyanoethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-(2-cyanoacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(2-cyano-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-cyanoacetyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-cyanoacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-11-10-15(16(20)8-9-18)12(2)19(11)14-6-4-13(5-7-14)17(21)22-3/h4-7,10H,8H2,1-3H3