2-Isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester

HCID 67106943
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1cc([N+](=O)[O-])ccc1C(=O)OCCn1ccnc1C(C)C
InChIKey
QHOSFIKQGUFRKN-UHFFFAOYSA-N
Molecular formula
C18H23N3O4
Average molar mass
345.4 g/mol

Names & identifiers

Preferred name
2-Isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester
IUPAC
2-(2-propan-2-ylimidazol-1-yl)ethyl 4-nitro-2-propan-2-ylbenzoate

Names & synonyms

SCHEMBL1646872QHOSFIKQGUFRKN-UHFFFAOYSA-N2-isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester

Database identifiers

PubChem CID
67106943

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
89.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

Loading…