ethyl 4-[(E)-3-cyanoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(E)-3-cyanoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-cyanoallyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-cyanoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-cyanoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-cyanoallyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-4-17-13(16)12-9(2)11(10(3)15-12)7-5-6-8-14/h5-6,15H,4,7H2,1-3H3/b6-5+