3-(4-methylidene-1-oxidanylidene-phthalazin-2-ium-2-yl)propanenitrile

Systemtic Name: 3-(4-methylidene-1-oxidanylidene-phthalazin-2-ium-2-yl)propanenitrile Openeye Name: 3-(4-methylene-1-oxo-phthalazin-2-ium-2-yl)propanenitrile CAS Name: 3-(4-methylene-1-oxo-2-phthalazin-2-iumyl)propanenitrile IUPAC Name: 3-(4-methylidene-1-oxophthalazin-2-ium-2-yl)propanenitrile Traditional Name: 3-(1-keto-4-methylene-phthalazin-2-ium-2-yl)propionitrile Formula: C12H10N3O+ MolecularWeight: 212.2273

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)[N+](=N1)CCC#N

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)[N+](=N1)CCC#N

InChI

InChI=1S/C12H10N3O/c1-9-10-5-2-3-6-11(10)12(16)15(14-9)8-4-7-13/h2-3,5-6H,1,4,8H2/q+1