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

Systemtic Name: 2-(2-methoxy-5-nitro-phenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole Openeye Name: 2-(2-methoxy-5-nitro-phenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole CAS Name: 2-(2-methoxy-5-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole IUPAC Name: 2-(2-methoxy-5-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole Traditional Name: 2-(2-methoxy-5-nitro-phenyl)-5-[4-(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)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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