methyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(2-cyanoethyl)-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester Formula: C17H14FN3O2 MolecularWeight: 311.310363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CCC#N)C=CN2C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC2=C(N1CCC#N)C=CN2C3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O2/c1-23-17(22)16-11-15-14(21(16)9-2-8-19)7-10-20(15)13-5-3-12(18)4-6-13/h3-7,10-11H,2,9H2,1H3