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

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)amino]-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)amino]-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)amino]-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H17BrClN3O4 MolecularWeight: 490.73438

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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=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=C(C=CC(=C2)Br)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C21H17BrClN3O4/c1-3-30-21(29)19-16(24-20(28)14-10-13(22)8-9-15(14)23)11-18(27)26(25-19)17-7-5-4-6-12(17)2/h4-11H,3H2,1-2H3,(H,24,28)