[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C19H19FN2O5 MolecularWeight: 374.362963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FN2O5/c1-21(2)17-10-9-15(22(25)26)12-16(17)19(24)27-11-3-4-18(23)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3