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

Systemtic Name: ethyl 1-(3-bromophenyl)-4-[(2,5-dimethylphenyl)methoxy]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-[(2,5-dimethylphenyl)methoxy]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-[(2,5-dimethylphenyl)methoxy]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-[(2,5-dimethylphenyl)methoxy]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-4-(2,5-dimethylbenzyl)oxy-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-4-28-22(27)21-19(29-13-16-10-14(2)8-9-15(16)3)12-20(26)25(24-21)18-7-5-6-17(23)11-18/h5-12H,4,13H2,1-3H3