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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O6/c22-16-5-3-15(4-6-16)20(25)2-1-11-30-21(26)18-14-17(24(27)28)7-8-19(18)23-9-12-29-13-10-23/h3-8,14H,1-2,9-13H2