Molecule ID: 11577870

IUPAC Name: methyl N-[[2-chloro-5-[(E)-C-methyl-N-[(6-methylpyridin-2-yl)methoxy]carbonimidoyl]phenyl]methyl]carbamate

Description: The molecule is a carbamate ester that is the methyl ester of (2-chloro-5-{(1E)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamic acid. A fungicide having excellent activity against a wide range of plant pathogenic fungi, especially gray mould diseases caused by Botrytis cinerea. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a carbamate fungicide and a methyl (2-chloro-5-{N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamate.

SMILES: COC(O)=NCc1cc(/C(C)=N/OCc2cccc(C)n2)ccc1Cl

SELFIES: [C][O][C][Branch1][C][O][=N][C][C][=C][C][Branch2][Ring1][Ring1][/C][Branch1][C][C][=N][/O][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Cl]

InChI: InChI=1S/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 3.2