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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H17BrFN3O4 MolecularWeight: 474.279783

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=C(C=C2)Br)F)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)Br)F)CC3=CC=CO3)C

InChI

InChI=1S/C21H17BrFN3O4/c1-12-13(2)26(10-15-4-3-7-29-15)20(17(12)9-24)25-19(27)11-30-21(28)16-6-5-14(22)8-18(16)23/h3-8H,10-11H2,1-2H3,(H,25,27)