4-nitrooxybutyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: 4-nitrooxybutyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: 4-nitrooxybutyl 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid 4-nitrooxybutyl ester Formula: C18H17F3N2O5 MolecularWeight: 398.33319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCCO[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCCO[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O5/c19-18(20,21)13-6-5-7-14(12-13)22-16-9-2-1-8-15(16)17(24)27-10-3-4-11-28-23(25)26/h1-2,5-9,12,22H,3-4,10-11H2