2-Acetyl-4-methoxyphenyl 4-nitrobenzoate

HCID 776089
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)=O)c1
InChIKey
KTCOUODRODBJSP-UHFFFAOYSA-N
Molecular formula
C16H13NO6
Average molar mass
315.28 g/mol

Names & identifiers

Preferred name
2-Acetyl-4-methoxyphenyl 4-nitrobenzoate
IUPAC
(2-acetyl-4-methoxyphenyl) 4-nitrobenzoate

Names & synonyms

2-acetyl-4-methoxyphenyl 4-nitrobenzoate332103-23-8(2-acetyl-4-methoxyphenyl) 4-nitrobenzoateSCHEMBL4992909KTCOUODRODBJSP-UHFFFAOYSA-NAKOS000603421AG-690/131150814-nitrobenzoic acid 2-acetyl-4-methoxyphenyl ester

Database identifiers

PubChem CID
776089

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
98.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

Loading…