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

Systemtic Name: O2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[N-(cyanomethyl)anilino]-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-[N-(cyanomethyl)anilino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-[N-(cyanomethyl)anilino]-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-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester O4-isopropyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-13(2)29-20(26)18-14(3)19(23-15(18)4)21(27)28-12-17(25)24(11-10-22)16-8-6-5-7-9-16/h5-9,13,23H,11-12H2,1-4H3