2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzoate

Systemtic Name: 2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzoate Openeye Name: 2-(3-isobutyl-1,2,4-oxadiazol-5-yl)benzoate CAS Name: 2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzoate IUPAC Name: 2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]benzoate Traditional Name: 2-(3-isobutyl-1,2,4-oxadiazol-5-yl)benzoate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NOC(=N1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-8(2)7-11-14-12(18-15-11)9-5-3-4-6-10(9)13(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)/p-1