ethyl 5-(2-cyanoethanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-cyanoethanoyl)-1,2,4-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyanoacetyl)-1,2,4-trimethyl-pyrrole-3-carboxylate CAS Name: 5-(2-cyano-1-oxoethyl)-1,2,4-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyanoacetyl)-1,2,4-trimethylpyrrole-3-carboxylate Traditional Name: 5-(2-cyanoacetyl)-1,2,4-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C(=O)CC#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C(=O)CC#N)C)C

InChI

InChI=1S/C13H16N2O3/c1-5-18-13(17)11-8(2)12(10(16)6-7-14)15(4)9(11)3/h5-6H2,1-4H3