[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14FN3O3 MolecularWeight: 327.309763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN3O3/c1-10(16(22)21-13-5-2-11(9-19)3-6-13)24-17(23)14-7-4-12(18)8-15(14)20/h2-8,10H,20H2,1H3,(H,21,22)/t10-/m0/s1