(4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NNC(=O)CC2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NNC(=O)CC2)C)C(C)(C)C

InChI

InChI=1S/C18H24N2O3/c1-11-8-13(18(3,4)5)9-12(2)14(11)10-23-17(22)15-6-7-16(21)20-19-15/h8-9H,6-7,10H2,1-5H3,(H,20,21)