[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H19FN2O7 MolecularWeight: 406.361763

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C19H19FN2O7/c1-27-8-7-21-16-5-4-13(22(25)26)10-14(16)19(24)29-11-17(23)12-3-6-18(28-2)15(20)9-12/h3-6,9-10,21H,7-8,11H2,1-2H3