Molecule ID: 3032604

IUPAC Name: [(Z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate

Description: The molecule is a trialkyl phosphate, an organophosphate insecticide, an organochlorine insecticide and an organophosphate nematicide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a N,N-diethyl-3-hydroxybut-2-enamide.

SMILES: CCN(CC)C(=O)/C(Cl)=C(\C)OP(=O)(OC)OC

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][/C][Branch1][C][Cl][=C][Branch1][C][\C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]

InChI: InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-

Molecular Properties:
- Polar Surface Area: 65.099 Ų
- LogP: 1.3