(2,6-dimethylphenyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (2,6-dimethylphenyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (2,6-dimethylphenyl) ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H16N2O3/c1-11-6-5-7-12(2)17(11)23-16(21)10-15-13-8-3-4-9-14(13)18(22)20-19-15/h3-9H,10H2,1-2H3,(H,20,22)