Ethyl 2-(2-benzoyloxyethoxyimino)-3-oxobutyrate

HCID 53765835

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)C(=NOCCOC(=O)c1ccccc1)C(C)=O
InChIKey: DLEUCUXSPVFLKN-UHFFFAOYSA-N
Molecular formula: C15H17NO6
Average molar mass: 307.3 g/mol

Names & identifiers

Preferred name: Ethyl 2-(2-benzoyloxyethoxyimino)-3-oxobutyrate
IUPAC: 2-[(1-ethoxy-1,3-dioxobutan-2-ylidene)amino]oxyethyl benzoate

Names & synonyms

SCHEMBL10745247DLEUCUXSPVFLKN-UHFFFAOYSA-Nethyl 2-(2-benzoyloxyethoxyimino)-3-oxobutyrate

Database identifiers

PubChem CID: 53765835

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 426

Related reactions

19 records

New reaction record

HRID 27269As productuspto-grants-1980_09

HRID 109054As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 255744As productuspto-grants-1987_10

HRID 745372As productuspto-grants-1986_07

HRID 805125As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 894749As productuspto-grants-1981_08

HRID 1120758As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1154111As productuspto-grants-1984_12

Compound notes

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