O2-(cyanomethyl) O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC#N

InChI

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