[(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: [(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid [(1R)-2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17F2N3O4 MolecularWeight: 401.363486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H17F2N3O4/c1-12(20(28)24-16-10-13(21)6-7-15(16)22)29-19(27)8-9-25-17-5-3-2-4-14(17)18(26)11-23-25/h2-7,10-12H,8-9H2,1H3,(H,24,28)/t12-/m1/s1