[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [(1R)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20FN3O6 MolecularWeight: 405.377003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C19H20FN3O6/c1-12(18(24)22-17-6-4-3-5-15(17)20)29-19(25)14-11-13(23(26)27)7-8-16(14)21-9-10-28-2/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,24)/t12-/m1/s1