Molecule ID: 23615302

IUPAC Name: 4-(2-aminophenyl)-2,4-dioxobutanoate

Description: The molecule is the conjugate base of 4-(2-aminophenyl)-2,4-dioxobutanoic acid; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 4-(2-aminophenyl)-2,4-dioxobutanoic acid.

SMILES: Nc1ccccc1C(=O)CC(=O)C(=O)[O-]

SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 100.0 Ų
- LogP: 1.9