4-[2-(2,4-Dinitrophenyl)ethenyl]-2-methoxyphenyl benzeneacetate

HCID 23911925

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Basic information

CAS: 463315-72-2
Standard SMILES: COc1cc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(=O)Cc1ccccc1
InChIKey: DNGRTZYSVXAVLX-UHFFFAOYSA-N
Molecular formula: C23H18N2O7
Average molar mass: 434.4 g/mol
Monoisotopic mass: 434.11140092

Names & identifiers

Preferred name: 4-[2-(2,4-Dinitrophenyl)ethenyl]-2-methoxyphenyl benzeneacetate
IUPAC: [4-[2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 2-phenylacetate

Names & synonyms

Oprea1_191566DTXSID901176358463315-72-24-[2-(2,4-Dinitrophenyl)ethenyl]-2-methoxyphenyl benzeneacetate4-[2-(2,4-Dinitrophenyl)ethenyl]-2-methoxyphenyl phenylacetate

Database identifiers

CAS: 463315-72-2
PubChem CID: 23911925
DTXSID: DTXSID901176358

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 127 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 681

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