[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H17BrFN3O3 MolecularWeight: 470.291083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)F)C3=CC=CC=C3)C

InChI

InChI=1S/C22H17BrFN3O3/c1-13-14(2)27(16-6-4-3-5-7-16)21(18(13)11-25)26-20(28)12-30-22(29)17-10-15(23)8-9-19(17)24/h3-10H,12H2,1-2H3,(H,26,28)