4-nitro-N-propyl-2-[5-[4-(trifluoromethyloxy)phenyl]-1,3-benzoxazol-2-yl]aniline

Systemtic Name: 4-nitro-N-propyl-2-[5-[4-(trifluoromethyloxy)phenyl]-1,3-benzoxazol-2-yl]aniline Openeye Name: 4-nitro-N-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]aniline CAS Name: 4-nitro-N-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]aniline IUPAC Name: 4-nitro-N-propyl-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]aniline Traditional Name: [4-nitro-2-[5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-yl]phenyl]-propyl-amine Formula: C23H18F3N3O4 MolecularWeight: 457.40193

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C23H18F3N3O4/c1-2-11-27-19-9-6-16(29(30)31)13-18(19)22-28-20-12-15(5-10-21(20)32-22)14-3-7-17(8-4-14)33-23(24,25)26/h3-10,12-13,27H,2,11H2,1H3