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

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

Isomeric SMILES

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

InChI

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