4-[(4-Nitrophenyl)methylene]-3,5-heptanedione

HCID 19096402
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)CC
InChIKey
QDXZKSDCGVHXKB-UHFFFAOYSA-N
Molecular formula
C14H15NO4
Average molar mass
261.27 g/mol

Names & identifiers

Preferred name
4-[(4-Nitrophenyl)methylene]-3,5-heptanedione
IUPAC
4-[(4-nitrophenyl)methylidene]heptane-3,5-dione

Names & synonyms

SCHEMBL8038701QDXZKSDCGVHXKB-UHFFFAOYSA-N4-[(4-Nitrophenyl)methylene]-3,5-heptanedione

Database identifiers

PubChem CID
19096402

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
80 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

Loading…