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

Systemtic Name: 4-nitrooxybutyl 2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid 4-nitrooxybutyl ester Formula: C19H20FNO5 MolecularWeight: 361.364203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3