4-oxidanylidene-3-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-(2-keto-2-mesityl-ethyl)phthalazine-1-carboxylate Formula: C20H17N2O4- MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])C

InChI

InChI=1S/C20H18N2O4/c1-11-8-12(2)17(13(3)9-11)16(23)10-22-19(24)15-7-5-4-6-14(15)18(21-22)20(25)26/h4-9H,10H2,1-3H3,(H,25,26)/p-1