(2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C21H15BrClN3O4 MolecularWeight: 488.7185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=CC2=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15BrClN3O4/c1-3-29-18-10-13(11-24)9-16(22)20(18)30-21(28)19-17(27)8-12(2)26(25-19)15-6-4-14(23)5-7-15/h4-10H,3H2,1-2H3