Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate

HCID 232199

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Basic information

CAS: 6335-23-5
Standard SMILES: CCOC(=O)C(Cc1cc([N+](=O)[O-])ccc1OCC)(NC(C)=O)C(=O)OCC
InChIKey: HZQMVDICLYLZHX-UHFFFAOYSA-N
Molecular formula: C18H24N2O8
Average molar mass: 396.4 g/mol
Monoisotopic mass: 396.15326573

Names & identifiers

Preferred name: Diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioate
IUPAC: diethyl 2-acetamido-2-[(2-ethoxy-5-nitrophenyl)methyl]propanedioate

Names & synonyms

6335-23-5diethyl(acetylamino)(2-ethoxy-5-nitrobenzyl)propanedioateNSC29457DTXSID20283050NSC-29457Diethyl acetamido[(2-ethoxy-5-nitrophenyl)methyl]propanedioate

Database identifiers

CAS: 6335-23-5
PubChem CID: 232199
DTXSID: DTXSID20283050

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 137 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 556

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