Molecule ID: 624123

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

Description: The molecule is the ester formed between N-hydroxysuccinimide and (4-hydroxy-5-iodo-3-nitrophenyl)acetic acid. It is a N-hydroxysuccinimide ester and a member of 2-nitrophenols. It contains a (4-hydroxy-3-iodo-5-nitrophenyl)acetyl group. It derives from a (4-hydroxy-3-iodo-5-nitrophenyl)acetic acid.

SMILES: O=C(Cc1cc(I)c(O)c([N+](=O)[O-])c1)ON1C(=O)CCC1=O

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

InChI: InChI=1S/C12H9IN2O7/c13-7-3-6(4-8(12(7)19)15(20)21)5-11(18)22-14-9(16)1-2-10(14)17/h3-4,19H,1-2,5H2

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 1.5