[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H22FN3O6 MolecularWeight: 419.403583

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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)NCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O6/c1-3-23(16-7-5-15(21)6-8-16)19(25)13-30-20(26)14-4-9-17(22-10-11-29-2)18(12-14)24(27)28/h4-9,12,22H,3,10-11,13H2,1-2H3