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diethyl (3-methoxy-N-methylanilino)methylenemalonate

HCID 53844589
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C(=CN(C)c1cccc(OC)c1)C(=O)OCC
InChIKey
GLLQSXXCACDPEY-UHFFFAOYSA-N
Molecular formula
C16H21NO5
Average molar mass
307.34 g/mol

Names & identifiers

Preferred name
diethyl (3-methoxy-N-methylanilino)methylenemalonate
IUPAC
diethyl 2-[(3-methoxy-N-methylanilino)methylidene]propanedioate

Names & synonyms

GLLQSXXCACDPEY-UHFFFAOYSA-Ndiethyl (3-methoxy-N-methylanilino)methylenemalonate

Database identifiers

PubChem CID
53844589

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
65.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
22
Formal charge
0
Complexity
387

Related reactions

2 records
New reaction record
HRID 941827 reaction equation
HRID 941827As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1722249 reaction equation
HRID 1722249As productuspto-grants-1989_08

Compound notes

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