(2R,3aS)-3a-methyl-6-oxidanidyl-4-oxidanylidene-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-2-carbonitrile

Systemtic Name: (2R,3aS)-3a-methyl-6-oxidanidyl-4-oxidanylidene-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-2-carbonitrile Openeye Name: (2R,3aS)-3a-methyl-6-oxido-4-oxo-5-phenyl-2,3-dihydropyrazolo[1,5-b]isoxazol-6-ium-2-carbonitrile CAS Name: (2R,3aS)-3a-methyl-6-oxido-4-oxo-5-phenyl-2,3-dihydropyrazolo[1,5-b]isoxazol-6-ium-2-carbonitrile IUPAC Name: (2R,3aS)-3a-methyl-6-oxido-4-oxo-5-phenyl-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-2-carbonitrile Traditional Name: (2R,3aS)-4-keto-3a-methyl-6-oxido-5-phenyl-2,3-dihydropyrazol[1,5-b]isoxazol-6-ium-2-carbonitrile Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(ON1[N+](=C(C2=O)C3=CC=CC=C3)[O-])C#N

Isomeric SMILES

C[C@@]12C[C@@H](ON1[N+](=C(C2=O)C3=CC=CC=C3)[O-])C#N

InChI

InChI=1S/C13H11N3O3/c1-13-7-10(8-14)19-16(13)15(18)11(12(13)17)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-,13+/m1/s1