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

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21FN2O7 MolecularWeight: 420.388343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21FN2O7/c1-4-29-18-9-15(16(23(26)27)10-17(18)28-3)20(25)30-12(2)19(24)22-11-13-5-7-14(21)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,22,24)/t12-/m1/s1