[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-nitro-benzoate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H19FN2O5 MolecularWeight: 374.362963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FN2O5/c1-11-5-4-6-16(17(11)22(25)26)19(24)27-13(3)18(23)21-12(2)14-7-9-15(20)10-8-14/h4-10,12-13H,1-3H3,(H,21,23)