Molecule ID: 532564

IUPAC Name: (4-nitrophenyl) naphthalene-1-carboxylate

Description: The molecule is a naphthoate ester obtained by formal condensation of the carboxy group of 1-naphthoic acid with the phenolic hydroxy group of 4-nitrophenol. It derives from a 4-nitrophenol.

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12

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

InChI: InChI=1S/C17H11NO4/c19-17(22-14-10-8-13(9-11-14)18(20)21)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 4.8