N-(5-nitro-1,3-dioxoisoindol-2-yl)-2-(4-nitrophenoxy)acetamide

HCID 339656

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Basic information

CAS: 84160-99-6
Standard SMILES: O=C(COc1ccc([N+](=O)[O-])cc1)NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
InChIKey: YRQUSRMXVLCRTL-UHFFFAOYSA-N
Molecular formula: C16H10N4O8
Average molar mass: 386.27 g/mol
Monoisotopic mass: 386.04986329

Names & identifiers

Preferred name: N-(5-nitro-1,3-dioxoisoindol-2-yl)-2-(4-nitrophenoxy)acetamide
IUPAC: N-(5-nitro-1,3-dioxoisoindol-2-yl)-2-(4-nitrophenoxy)acetamide

Names & synonyms

NSC36725984160-99-6N-(5-nitro-1,3-dioxoisoindol-2-yl)-2-(4-nitrophenoxy)acetamideDTXSID60320958NSC-367259DS-006266N-(5-nitro-1,3-dioxo-isoindolin-2-yl)-2-(4-nitrophenoxy)acetamideAcetamide, N-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)-2-(4-nitrophenoxy)-ACETAMIDE,N-(1,3-DIHYDRO-5-NITRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-2-(4-NITROPHENOXY)-N-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-nitrophenoxy)acetamide

Database identifiers

CAS: 84160-99-6
PubChem CID: 339656
DTXSID: DTXSID60320958

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 167 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 679

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