O4-(1-cyanoethyl) O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-(1-cyanoethyl) O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-(1-cyanoethyl) O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-(1-cyanoethyl) ester O2-ethyl ester IUPAC Name: 4-O-(1-cyanoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-(1-cyanoethyl) ester O2-ethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-5-18-13(17)11-8(3)10(9(4)15-11)12(16)19-7(2)6-14/h7,15H,5H2,1-4H3