Ethyl 2-(acetylamino)-3-(3-nitrophenyl)propanoate

HCID 22292739
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Basic information

Standard SMILES
CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)NC(C)=O
InChIKey
DEMVMKCQUASWND-UHFFFAOYSA-N
Molecular formula
C13H16N2O5
Average molar mass
280.28 g/mol

Names & identifiers

Preferred name
Ethyl 2-(acetylamino)-3-(3-nitrophenyl)propanoate
IUPAC
ethyl 2-acetamido-3-(3-nitrophenyl)propanoate

Names & synonyms

ethyl 2-(acetylamino)-3-(3-nitrophenyl)propanoateSCHEMBL6751575DEMVMKCQUASWND-UHFFFAOYSA-N

Database identifiers

PubChem CID
22292739

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20

Related reactions

6 records
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Linked notes

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