Molecule ID: 86290103

IUPAC Name: 2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid

Description: The molecule is a monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. It has a role as a marine xenobiotic metabolite. It is a member of pyrazoles, a monocarboxylic acid and an aromatic amide.

SMILES: Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(=O)O

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

InChI: InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 75.4 Ų
- LogP: 2.0