[(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1R)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1R)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13ClFN3O5 MolecularWeight: 381.742923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClFN3O5/c1-8(15(22)20-9-2-5-13(18)12(17)6-9)26-16(23)11-4-3-10(21(24)25)7-14(11)19/h2-8H,19H2,1H3,(H,20,22)/t8-/m1/s1