(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C22H14BrClN2O3 MolecularWeight: 469.71516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)Cl)Br

InChI

InChI=1S/C22H14BrClN2O3/c1-13-11-14(23)12-18(24)20(13)29-22(28)19-16-9-5-6-10-17(16)21(27)26(25-19)15-7-3-2-4-8-15/h2-12H,1H3