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

Systemtic Name: O4-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester O2-ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

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