(E)-[5-(phenylcarbonylimino)-3-propan-2-yl-1,2,3-oxadiazol-3-ium-4-ylidene]methanolate

Systemtic Name: (E)-[5-(phenylcarbonylimino)-3-propan-2-yl-1,2,3-oxadiazol-3-ium-4-ylidene]methanolate Openeye Name: (E)-(5-benzoylimino-3-isopropyl-oxadiazol-3-ium-4-ylidene)methanolate CAS Name: (E)-(5-benzoylimino-3-propan-2-yl-4-oxadiazol-3-iumylidene)methanolate IUPAC Name: (E)-(5-benzoylimino-3-propan-2-yloxadiazol-3-ium-4-ylidene)methanolate Traditional Name: (E)-(5-benzoylimino-3-isopropyl-oxadiazol-3-ium-4-ylidene)methanolate Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=NOC(=NC(=O)C2=CC=CC=C2)C1=C[O-]

Isomeric SMILES

CC(C)[N+]\1=NOC(=NC(=O)C2=CC=CC=C2)/C1=C\[O-]

InChI

InChI=1S/C13H13N3O3/c1-9(2)16-11(8-17)13(19-15-16)14-12(18)10-6-4-3-5-7-10/h3-9H,1-2H3