3,6-dimethyl-4-phenyl-4H-[1,2]oxazolo[3,4-d]pyridazin-6-ium-7-one

Systemtic Name: 3,6-dimethyl-4-phenyl-4H-[1,2]oxazolo[3,4-d]pyridazin-6-ium-7-one Openeye Name: 3,6-dimethyl-4-phenyl-4H-isoxazolo[3,4-d]pyridazin-6-ium-7-one CAS Name: 3,6-dimethyl-4-phenyl-4H-isoxazolo[3,4-d]pyridazin-6-ium-7-one IUPAC Name: 3,6-dimethyl-4-phenyl-4H-[1,2]oxazolo[3,4-d]pyridazin-6-ium-7-one Traditional Name: 3,6-dimethyl-4-phenyl-4H-isoxazolo[3,4-d]pyridazin-6-ium-7-one Formula: C13H12N3O2+ MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(N=[N+](C(=O)C2=NO1)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(N=[N+](C(=O)C2=NO1)C)C3=CC=CC=C3

InChI

InChI=1S/C13H12N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7,11H,1-2H3/q+1