[(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-(3-fluoro-4-methyl-anilino)-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)NC2=CC(=C(C=C2)C)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21FN2O7/c1-5-29-18-9-14(16(23(26)27)10-17(18)28-4)20(25)30-12(3)19(24)22-13-7-6-11(2)15(21)8-13/h6-10,12H,5H2,1-4H3,(H,22,24)/t12-/m1/s1