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

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15FN2O5/c1-2-19-14-8-5-12(9-15(14)20(23)24)17(22)25-10-16(21)11-3-6-13(18)7-4-11/h3-9,19H,2,10H2,1H3