4-nitrooxybutyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-methyl-propanoate

Systemtic Name: 4-nitrooxybutyl 2-(3-fluoranyl-4-phenyl-phenyl)-2-methyl-propanoate Openeye Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenyl-phenyl)-2-methyl-propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenylphenyl)-2-methylpropanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)-2-methyl-propionic acid 4-nitrooxybutyl ester Formula: C20H22FNO5 MolecularWeight: 375.390783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO5/c1-20(2,19(23)26-12-6-7-13-27-22(24)25)16-10-11-17(18(21)14-16)15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3