[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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