O1-tert-butyl O5-methyl 3-(cyanomethyl)-2-oxidanylidene-3H-pyrrole-1,5-dicarboxylate

Systemtic Name: O1-tert-butyl O5-methyl 3-(cyanomethyl)-2-oxidanylidene-3H-pyrrole-1,5-dicarboxylate Openeye Name: O1-tert-butyl O5-methyl 3-(cyanomethyl)-2-oxo-3H-pyrrole-1,5-dicarboxylate CAS Name: 3-(cyanomethyl)-2-oxo-3H-pyrrole-1,5-dicarboxylic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl 3-(cyanomethyl)-2-oxo-3H-pyrrole-1,5-dicarboxylate Traditional Name: 4-(cyanomethyl)-5-keto-2-pyrroline-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(C1=O)CC#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(C1=O)CC#N)C(=O)OC

InChI

InChI=1S/C13H16N2O5/c1-13(2,3)20-12(18)15-9(11(17)19-4)7-8(5-6-14)10(15)16/h7-8H,5H2,1-4H3