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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O6/c1-28-12-10-22-18-9-8-16(23(26)27)13-17(18)20(25)29-11-2-3-19(24)14-4-6-15(21)7-5-14/h4-9,13,22H,2-3,10-12H2,1H3