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

Systemtic Name: 4-[4-(chloromethyl)-5-methyl-3-oxidanylidene-1,2-oxazol-2-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-isoxazol-2-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-2-isoxazolyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(chloromethyl)-5-methyl-3-oxo-1,2-oxazol-2-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(chloromethyl)-3-keto-5-methyl-4-isoxazolin-2-yl]-3-nitro-benzoic acid Formula: C12H9ClN2O6 MolecularWeight: 312.66266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CCl

Isomeric SMILES

CC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CCl

InChI

InChI=1S/C12H9ClN2O6/c1-6-8(5-13)11(16)14(21-6)9-3-2-7(12(17)18)4-10(9)15(19)20/h2-4H,5H2,1H3,(H,17,18)