2-{[(3-Methoxyphenyl)imino]methyl}-4-nitrophenol

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Basic information

CAS: 303215-16-9
Standard SMILES: COc1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1
InChIKey: QYRWFXBOPQEMCB-UHFFFAOYSA-N
Molecular formula: C14H12N2O4
Average molar mass: 272.26 g/mol
Monoisotopic mass: 272.07970687

Names & identifiers

Preferred name: 2-{[(3-Methoxyphenyl)imino]methyl}-4-nitrophenol
IUPAC: 2-[(3-methoxyphenyl)iminomethyl]-4-nitrophenol

Names & synonyms

2-{[(3-methoxyphenyl)imino]methyl}-4-nitrophenol2-[[(3-Methoxyphenyl)imino]methyl]-4-nitrophenolSCHEMBL22624829DTXSID401237363STK018885AKOS000483794303215-16-9ST4016858EU-00175542-{(E)-[(3-methoxyphenyl)imino]methyl}-4-nitrophenol2-[(1E)-2-(3-methoxyphenyl)-2-azavinyl]-4-nitrophenol

Database identifiers

CAS: 303215-16-9
PubChem CID: 690200
DTXSID: DTXSID401237363

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 87.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 356

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Compound notes

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