4-nitrooxybutyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-oxidanylidene-ethanoate

Systemtic Name: 4-nitrooxybutyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-oxidanylidene-ethanoate Openeye Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenyl-phenyl)-2-oxo-acetate CAS Name: 2-(3-fluoro-4-phenylphenyl)-2-oxoacetic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenylphenyl)-2-oxoacetate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)-2-keto-acetic acid 4-nitrooxybutyl ester Formula: C18H16FNO6 MolecularWeight: 361.321143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FNO6/c19-16-12-14(8-9-15(16)13-6-2-1-3-7-13)17(21)18(22)25-10-4-5-11-26-20(23)24/h1-3,6-9,12H,4-5,10-11H2