(4-methylphenyl)methyl 3-(3-bromanyl-4-fluoranyl-phenyl)-6-oxidanylidene-pyridazine-1-carboxylate

Systemtic Name: (4-methylphenyl)methyl 3-(3-bromanyl-4-fluoranyl-phenyl)-6-oxidanylidene-pyridazine-1-carboxylate Openeye Name: p-tolylmethyl 3-(3-bromo-4-fluoro-phenyl)-6-oxo-pyridazine-1-carboxylate CAS Name: 3-(3-bromo-4-fluorophenyl)-6-oxo-1-pyridazinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(3-bromo-4-fluorophenyl)-6-oxopyridazine-1-carboxylate Traditional Name: 3-(3-bromo-4-fluoro-phenyl)-6-keto-pyridazine-1-carboxylic acid (4-methylbenzyl) ester Formula: C19H14BrFN2O3 MolecularWeight: 417.228463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)F)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C19H14BrFN2O3/c1-12-2-4-13(5-3-12)11-26-19(25)23-18(24)9-8-17(22-23)14-6-7-16(21)15(20)10-14/h2-10H,11H2,1H3