ethyl 4-(3-cyano-2-oxidanyl-propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-cyano-2-oxidanyl-propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(3-cyano-2-hydroxy-propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-cyano-2-hydroxy-1-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-2-hydroxypropanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-cyano-2-hydroxy-propanoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-4-19-13(18)11-7(2)10(8(3)15-11)12(17)9(16)5-6-14/h9,15-16H,4-5H2,1-3H3