3-nitro-4-(1,2-oxazol-5-ylmethoxy)benzoic acid

Systemtic Name: 3-nitro-4-(1,2-oxazol-5-ylmethoxy)benzoic acid Openeye Name: 4-(isoxazol-5-ylmethoxy)-3-nitro-benzoic acid CAS Name: 4-(5-isoxazolylmethoxy)-3-nitrobenzoic acid IUPAC Name: 3-nitro-4-(1,2-oxazol-5-ylmethoxy)benzoic acid Traditional Name: 4-(isoxazol-5-ylmethoxy)-3-nitro-benzoic acid Formula: C11H8N2O6 MolecularWeight: 264.19102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=NO2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CC=NO2

InChI

InChI=1S/C11H8N2O6/c14-11(15)7-1-2-10(9(5-7)13(16)17)18-6-8-3-4-12-19-8/h1-5H,6H2,(H,14,15)