[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16FN3O4 MolecularWeight: 369.346443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C19H16FN3O4/c1-12(18(25)23-16-8-4-14(20)5-9-16)27-19(26)13-2-6-15(7-3-13)22-17(24)10-11-21/h2-9,12H,10H2,1H3,(H,22,24)(H,23,25)/t12-/m1/s1