ethyl 4-[(2,5-dimethylphenyl)methoxy]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[(2,5-dimethylphenyl)methoxy]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[(2,5-dimethylphenyl)methoxy]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[(2,5-dimethylphenyl)methoxy]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethylphenyl)methoxy]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(2,5-dimethylbenzyl)oxy-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC2=C(C=CC(=C2)C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC2=C(C=CC(=C2)C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O4/c1-4-28-22(27)21-19(29-13-16-11-14(2)5-6-15(16)3)12-20(26)25(24-21)18-9-7-17(23)8-10-18/h5-12H,4,13H2,1-3H3