[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O7 MolecularWeight: 420.388343

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

InChI

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