ethyl 4-(3-cyanopropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-cyanopropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3-cyanopropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-cyano-1-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyanopropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-cyanopropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CCC#N)C

InChI

InChI=1S/C13H16N2O3/c1-4-18-13(17)12-8(2)11(9(3)15-12)10(16)6-5-7-14/h15H,4-6H2,1-3H3