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

Systemtic Name: 3-(4-methylidene-1-oxidanylidene-phthalazin-2-ium-2-yl)propanoic acid Openeye Name: 3-(4-methylene-1-oxo-phthalazin-2-ium-2-yl)propanoic acid CAS Name: 3-(4-methylene-1-oxo-2-phthalazin-2-iumyl)propanoic acid IUPAC Name: 3-(4-methylidene-1-oxophthalazin-2-ium-2-yl)propanoic acid Traditional Name: 3-(1-keto-4-methylene-phthalazin-2-ium-2-yl)propionic acid Formula: C12H11N2O3+ MolecularWeight: 231.22734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3/c1-8-9-4-2-3-5-10(9)12(17)14(13-8)7-6-11(15)16/h2-5H,1,6-7H2/p+1