5-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole

Systemtic Name: 5-(3-chloranyl-4-fluoranyl-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Openeye Name: 5-(3-chloro-4-fluoro-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole CAS Name: 5-(3-chloro-4-fluorophenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole IUPAC Name: 5-(3-chloro-4-fluorophenyl)-2-(4-methoxy-3-nitrophenyl)-1,3-benzoxazole Traditional Name: 5-(3-chloro-4-fluoro-phenyl)-2-(4-methoxy-3-nitro-phenyl)-1,3-benzoxazole Formula: C20H12ClFN2O4 MolecularWeight: 398.771683

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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(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H12ClFN2O4/c1-27-19-7-4-13(10-17(19)24(25)26)20-23-16-9-12(3-6-18(16)28-20)11-2-5-15(22)14(21)8-11/h2-10H,1H3