Ethyl 2-(3-fluoro-4-nitrobenzoyl)-3-(dimethylamino)acrylate (HCID 66640928)

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(=CN(C)C)C(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIKey: SGGRVHKDPSMEEW-UHFFFAOYSA-N
Molecular formula: C14H15FN2O5
Average molar mass: 310.28 g/mol

Names & identifiers

Preferred name: Ethyl 2-(3-fluoro-4-nitrobenzoyl)-3-(dimethylamino)acrylate
IUPAC: ethyl 3-(dimethylamino)-2-(3-fluoro-4-nitrobenzoyl)prop-2-enoate

Names & synonyms

SCHEMBL275028SGGRVHKDPSMEEW-UHFFFAOYSA-Nethyl 2-(3-fluoro-4-nitrobenzoyl)-3-(dimethylamino)acrylateethyl 3-(dimethylamino)-2-(3-fluoro-4-nitrobenzoyl)acrylate

Database identifiers

PubChem CID: 66640928

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 472

Related reactions

4 records

New reaction record

HRID 73652As reactantuspto-grants-2014_09

HRID 111521As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1094845As reactantuspto-grants-2012_03

HRID 2197521As productuspto-grants-2012_12

Compound notes

Loading…