4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-3-nitro-benzoic acid Openeye Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-3-nitro-benzoic acid CAS Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-3-nitrobenzoic acid IUPAC Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-3-nitrobenzoic acid Traditional Name: 4-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-3-nitro-benzoic acid Formula: C15H15ClN2O6 MolecularWeight: 354.7424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CCl

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CCl

InChI

InChI=1S/C15H15ClN2O6/c1-15(2,3)12-9(7-16)13(19)17(24-12)10-5-4-8(14(20)21)6-11(10)18(22)23/h4-6H,7H2,1-3H3,(H,20,21)