(4-cyano-3-oxidanidyl-4H-imidazol-3-ium-5-yl)methyl 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanoate

Systemtic Name: (4-cyano-3-oxidanidyl-4H-imidazol-3-ium-5-yl)methyl 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanoate Openeye Name: (4-cyano-3-oxido-4H-imidazol-3-ium-5-yl)methyl 2-(3-phenyl-4,5-dihydroisoxazol-5-yl)acetate CAS Name: 2-(3-phenyl-4,5-dihydroisoxazol-5-yl)acetic acid (4-cyano-3-oxido-4H-imidazol-3-ium-5-yl)methyl ester IUPAC Name: (4-cyano-3-oxido-4H-imidazol-3-ium-5-yl)methyl 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetate Traditional Name: 2-(3-phenyl-2-isoxazolin-5-yl)acetic acid (4-cyano-3-oxido-4H-imidazol-3-ium-5-yl)methyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)CC(=O)OCC3=NC=[N+](C3C#N)[O-]

Isomeric SMILES

C1C(ON=C1C2=CC=CC=C2)CC(=O)OCC3=NC=[N+](C3C#N)[O-]

InChI

InChI=1S/C16H14N4O4/c17-8-15-14(18-10-20(15)22)9-23-16(21)7-12-6-13(19-24-12)11-4-2-1-3-5-11/h1-5,10,12,15H,6-7,9H2