[(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15ClFN3O5 MolecularWeight: 443.812303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=C(C=C(C=C3)F)N

InChI

InChI=1S/C21H15ClFN3O5/c22-16-11-14(26(29)30)7-9-18(16)25-20(27)19(12-4-2-1-3-5-12)31-21(28)15-8-6-13(23)10-17(15)24/h1-11,19H,24H2,(H,25,27)/t19-/m0/s1