O2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(2-cyanoethylamino)-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(2-cyanoethylamino)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(2-cyanoethylamino)-2-oxoethyl] 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-[2-(2-cyanoethylamino)-2-keto-ethyl] ester O4-isopropyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-9(2)24-15(21)13-10(3)14(19-11(13)4)16(22)23-8-12(20)18-7-5-6-17/h9,19H,5,7-8H2,1-4H3,(H,18,20)