methyl 4-[2-chloranyl-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethyl-butanoate

Systemtic Name: methyl 4-[2-chloranyl-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethyl-butanoate Openeye Name: methyl 4-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethyl-butanoate CAS Name: 4-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethylbutanoic acid methyl ester IUPAC Name: methyl 4-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethylbutanoate Traditional Name: 4-[2-chloro-4-(6-keto-4,5-dihydro-1H-pyridazin-5-yl)phenoxy]-2,2-dimethyl-butyric acid methyl ester Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=C(C=C1)C2CC=NNC2=O)Cl)C(=O)OC

Isomeric SMILES

CC(C)(CCOC1=C(C=C(C=C1)C2CC=NNC2=O)Cl)C(=O)OC

InChI

InChI=1S/C17H21ClN2O4/c1-17(2,16(22)23-3)7-9-24-14-5-4-11(10-13(14)18)12-6-8-19-20-15(12)21/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,20,21)