ethyl 4-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-4-29-21(28)19-13(3)23-12(2)18(19)16(25)11-30-20(27)14-5-7-15(8-6-14)24-17(26)9-10-22/h5-8,23H,4,9,11H2,1-3H3,(H,24,26)