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

Systemtic Name: 3-[2-(propylcarbamoyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-(propylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[oxo(propylamino)methyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-(propylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-(propylcarbamoyl)phenyl]oxadiazol-3-ium-5-olate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-2-7-13-12(17)9-5-3-4-6-10(9)15-8-11(16)18-14-15/h3-6,8H,2,7H2,1H3,(H-,13,14,16,17)