4-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-(prop-2-enylamino)pyridazin-3-one

Systemtic Name: 4-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-(prop-2-enylamino)pyridazin-3-one Openeye Name: 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxo-butyl)pyridazin-3-one CAS Name: 4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-enylamino)-3-pyridazinone IUPAC Name: 4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-enylamino)pyridazin-3-one Traditional Name: 5-(allylamino)-4-chloro-2-(2-keto-3,3-dimethyl-butyl)pyridazin-3-one Formula: C13H18ClN3O2 MolecularWeight: 283.75392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)NCC=C)Cl

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)NCC=C)Cl

InChI

InChI=1S/C13H18ClN3O2/c1-5-6-15-9-7-16-17(12(19)11(9)14)8-10(18)13(2,3)4/h5,7,15H,1,6,8H2,2-4H3