Molecule ID: 786265

IUPAC Name: (4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate

Description: The molecule is a carboxylic ester obtained by formal condensation of the carboxy group of phthalimidoacetic acid with the phenolic hydroxy group of 4-nitrophenol. It is a C-nitro compound, a carboxylic ester and a member of phthalimides. It derives from a 4-nitrophenol, a glycine and a phthalimide.

SMILES: O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1

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

InChI: InChI=1S/C16H10N2O6/c19-14(24-11-7-5-10(6-8-11)18(22)23)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8H,9H2

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 2.2