2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol

HCID 793602

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Basic information

CAS: 5304-15-4
Standard SMILES: CCOc1cc([N+](=O)[O-])cc(C=Nc2cc(Cl)ccc2C)c1O
InChIKey: GNGUMSSCUYJLPI-UHFFFAOYSA-N
Molecular formula: C16H15ClN2O4
Average molar mass: 334.75 g/mol
Monoisotopic mass: 334.0720347

Names & identifiers

Preferred name: 2-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenol
IUPAC: 2-[(5-chloro-2-methylphenyl)iminomethyl]-6-ethoxy-4-nitrophenol

Names & synonyms

5304-15-4AC1NSCAL2-{[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenolOprea1_162046Oprea1_844354DTXSID70416290STK0739532-{(E)-[(5-chloro-2-methylphenyl)imino]methyl}-6-ethoxy-4-nitrophenolAKOS000515277(6Z)-6-[(5-chloro-2-methylanilino)methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-oneST50337143AG-690/10008039

Show more names

AG-690/127648526-[(1E)-2-(5-chloro-2-methylphenyl)-2-azavinyl]-2-ethoxy-4-nitrophenol

Database identifiers

CAS: 5304-15-4
PubChem CID: 793602
DTXSID: DTXSID70416290

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 87.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 429

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