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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O5/c1-4-28-20(26)18-14(2)19(23-15(18)3)21(27)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