ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2-chloro-6-fluoro-benzoyl)amino]-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-6-fluorobenzoyl)amino]-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(2-chloro-6-fluoro-benzoyl)amino]-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H17ClFN3O4 MolecularWeight: 429.828783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H17ClFN3O4/c1-3-30-21(29)19-16(24-20(28)18-14(22)5-4-6-15(18)23)11-17(27)26(25-19)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,24,28)