[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20FN3O6 MolecularWeight: 405.377003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H20FN3O6/c1-12(18(25)22-11-13-2-4-14(20)5-3-13)29-19(26)16-10-15(23(27)28)6-7-17(16)21-8-9-24/h2-7,10,12,21,24H,8-9,11H2,1H3,(H,22,25)/t12-/m1/s1