5-[3-[4-(4-fluoranyl-3-nitro-phenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[3-[4-(4-fluoranyl-3-nitro-phenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[4-(4-fluoro-3-nitro-phenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole CAS Name: 5-[3-[4-(4-fluoro-3-nitrophenyl)-2,6-dimethylphenoxy]propyl]-3-methylisoxazole IUPAC Name: 5-[3-[4-(4-fluoro-3-nitrophenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-[4-(4-fluoro-3-nitro-phenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN2O4/c1-13-9-17(16-6-7-19(22)20(12-16)24(25)26)10-14(2)21(13)27-8-4-5-18-11-15(3)23-28-18/h6-7,9-12H,4-5,8H2,1-3H3