(phenylmethyl) 2-[3,5-bis(chloranyl)-2-oxidanylidene-6-[3-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3,5-bis(chloranyl)-2-oxidanylidene-6-[3-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3,5-dichloro-2-oxo-6-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrazin-1-yl]acetate CAS Name: 2-[3,5-dichloro-2-oxo-6-[3-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3,5-dichloro-2-oxo-6-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrazin-1-yl]acetate Traditional Name: 2-[3,5-dichloro-2-keto-6-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrazin-1-yl]acetic acid benzyl ester Formula: C21H14Cl2F3N3O4 MolecularWeight: 500.25477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)Cl)Cl)C3=CC(=CC=C3)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)Cl)Cl)C3=CC(=CC=C3)NC(=O)C(F)(F)F

InChI

InChI=1S/C21H14Cl2F3N3O4/c22-17-16(13-7-4-8-14(9-13)27-20(32)21(24,25)26)29(19(31)18(23)28-17)10-15(30)33-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,27,32)