2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-3-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-3-ium-2-yl]ethanoate Openeye Name: 2-[1-oxo-4-(p-tolyl)phthalazin-3-ium-2-yl]acetate CAS Name: 2-[4-(4-methylphenyl)-1-oxo-2-phthalazin-3-iumyl]acetate IUPAC Name: 2-[4-(4-methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate Traditional Name: 2-[1-keto-4-(p-tolyl)phthalazin-3-ium-2-yl]acetate Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]N(C(=O)C3=CC=CC=C32)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]N(C(=O)C3=CC=CC=C32)CC(=O)[O-]

InChI

InChI=1S/C17H14N2O3/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-14(13)17(22)19(18-16)10-15(20)21/h2-9H,10H2,1H3,(H,20,21)