5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitro-phenyl)isoxazol-3-one CAS Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitrophenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-4-(chloromethyl)-2-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN2O4/c1-9-5-6-11(12(7-9)18(20)21)17-14(19)10(8-16)13(22-17)15(2,3)4/h5-7H,8H2,1-4H3