2-(4-Chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylidene]ethanehydrazonic acid

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Basic information

CAS: 6987-20-8
Standard SMILES: Cc1cc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc(C)c1Cl
InChIKey: MVQIEHVRHNCOOQ-UHFFFAOYSA-N
Molecular formula: C17H16ClN3O4
Average molar mass: 361.8 g/mol
Monoisotopic mass: 361.0829337

Names & identifiers

Preferred name: 2-(4-Chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylidene]ethanehydrazonic acid
IUPAC: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide

Names & synonyms

6987-20-8DTXSID909901482-(4-Chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylidene]ethanehydrazonic acid(4-Chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylidene]ethanehydrazonic acid

Database identifiers

CAS: 6987-20-8
PubChem CID: 5230409
DTXSID: DTXSID90990148

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 96.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 485

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