Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-butanoate

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Basic information

CAS: 67031-13-4
Standard SMILES: COC(=O)C(CC=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIKey: YNDSMHLHZQBPIR-UHFFFAOYSA-N
Molecular formula: C17H16N4O6
Average molar mass: 372.3 g/mol
Monoisotopic mass: 372.10698424

Names & identifiers

Preferred name: Methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-butanoate
IUPAC: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylbutanoate

Names & synonyms

67031-13-4METHYL 4-[(2,4-DINITROPHENYL)HYDRAZINYLIDENE]-2-PHENYL-BUTANOATEDTXSID30313276Methyl 4-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-phenylbutanoate

Database identifiers

CAS: 67031-13-4
PubChem CID: 320500
DTXSID: DTXSID30313276

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 142 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 553

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Compound notes

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