2-(4-methoxy-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole

Systemtic Name: 2-(4-methoxy-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole Openeye Name: 2-(4-methoxy-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole CAS Name: 2-(4-methoxy-3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole IUPAC Name: 2-(4-methoxy-3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole Traditional Name: 2-(4-methoxy-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole Formula: C21H13F3N2O4 MolecularWeight: 414.33413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N2O4/c1-29-19-8-6-14(11-17(19)26(27)28)20-25-16-10-13(5-7-18(16)30-20)12-3-2-4-15(9-12)21(22,23)24/h2-11H,1H3