(2,3,6-trimethylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C19H18N2O3/c1-11-9-10-12(2)17(13(11)3)24-19(23)16-14-7-5-6-8-15(14)18(22)21(4)20-16/h5-10H,1-4H3