3-[2-(2-methylpropylcarbamoyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-(2-methylpropylcarbamoyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(isobutylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(2-methylpropylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-(isobutylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1[N+]2=NOC(=C2)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1[N+]2=NOC(=C2)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9(2)7-14-13(18)10-5-3-4-6-11(10)16-8-12(17)19-15-16/h3-6,8-9H,7H2,1-2H3,(H-,14,15,17,18)