ethyl 3-azanyl-4-cyano-1-[4-(trifluoromethyloxy)phenyl]pyrrole-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-cyano-1-[4-(trifluoromethyloxy)phenyl]pyrrole-2-carboxylate Openeye Name: ethyl 3-amino-4-cyano-1-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylate CAS Name: 3-amino-4-cyano-1-[4-(trifluoromethoxy)phenyl]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-cyano-1-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylate Traditional Name: 3-amino-4-cyano-1-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid ethyl ester Formula: C15H12F3N3O3 MolecularWeight: 339.26929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C2=CC=C(C=C2)OC(F)(F)F)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C2=CC=C(C=C2)OC(F)(F)F)C#N)N

InChI

InChI=1S/C15H12F3N3O3/c1-2-23-14(22)13-12(20)9(7-19)8-21(13)10-3-5-11(6-4-10)24-15(16,17)18/h3-6,8H,2,20H2,1H3