Ethyl 2-(4-nitrophenylamino)-3-methylbutyrate

HCID 58596142
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Basic information

Standard SMILES
CCOC(=O)C(Nc1ccc([N+](=O)[O-])cc1)C(C)C
InChIKey
NTLOSSXQTHGNGZ-UHFFFAOYSA-N
Molecular formula
C13H18N2O4
Average molar mass
266.29 g/mol

Names & identifiers

Preferred name
Ethyl 2-(4-nitrophenylamino)-3-methylbutyrate
IUPAC
ethyl 3-methyl-2-(4-nitroanilino)butanoate

Names & synonyms

SCHEMBL4828271NTLOSSXQTHGNGZ-UHFFFAOYSA-Nethyl 2-(4-nitrophenylamino)-3-methylbutyrate

Database identifiers

PubChem CID
58596142

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
84.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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