5-phenethyl-1,2-oxazole-4-carboxylic acid

Systemtic Name: 5-phenethyl-1,2-oxazole-4-carboxylic acid Openeye Name: 5-phenethylisoxazole-4-carboxylic acid CAS Name: 5-phenethyl-4-isoxazolecarboxylic acid IUPAC Name: 5-phenethyl-1,2-oxazole-4-carboxylic acid Traditional Name: 5-phenethylisoxazole-4-carboxylic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=NO2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=NO2)C(=O)O

InChI

InChI=1S/C12H11NO3/c14-12(15)10-8-13-16-11(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)