Molecule ID: 126530

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxy-3-nitrophenyl)acetate

Description: The molecule is the ester formed between N-hydroxysuccinimide and (4-hydroxy-3-nitrophenyl)acetic acid. It has a role as a hapten. It is a N-hydroxysuccinimide ester and a member of 2-nitrophenols. It contains a (4-hydroxy-3-nitrophenyl)acetyl group. It derives from a (4-hydroxy-3-nitrophenyl)acetic acid.

SMILES: O=C(Cc1ccc(O)c([N+](=O)[O-])c1)ON1C(=O)CCC1=O

SELFIES: [O][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]

InChI: InChI=1S/C12H10N2O7/c15-9-2-1-7(5-8(9)14(19)20)6-12(18)21-13-10(16)3-4-11(13)17/h1-2,5,15H,3-4,6H2

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 0.8