Molecule ID: 45380430

IUPAC Name: (2E)-2-[2-[[(E)-[(E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

Description: The molecule is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-{2-[({(E)-[(3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methylamine. A broad-spectrum fungicide. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an oxime O-ether, a monocarboxylic acid amide, an olefinic compound, a dichlorobenzene, an amide fungicide and a methoxyiminoacetamide strobilurin antifungal agent.

SMILES: CN=C(O)/C(=N/OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl

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

InChI: InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20+

Molecular Properties:
- Polar Surface Area: 72.3 Ų
- LogP: 5.1