ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H14BrClFN3O4 MolecularWeight: 494.698263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrClFN3O4/c1-2-30-20(29)18-16(24-19(28)14-9-11(21)3-8-15(14)22)10-17(27)26(25-18)13-6-4-12(23)5-7-13/h3-10H,2H2,1H3,(H,24,28)