3-[2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[2-[(E)-3-oxidanylidenebut-1-enyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[2-[(E)-3-oxobut-1-enyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[2-[(E)-3-oxobut-1-enyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[2-[(E)-3-oxobut-1-enyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[2-[(E)-3-ketobut-1-enyl]phenyl]oxadiazol-3-ium-5-olate Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC=CC=C1[N+]2=NOC(=C2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3/c1-9(15)6-7-10-4-2-3-5-11(10)14-8-12(16)17-13-14/h2-8H,1H3/b7-6+