(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H12N2O4 — CID 6898170

IUPAC(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1
InChIInChI=1S/C14H12N2O4/c17-15-9-12-3-1-2-4-14(12)20-10-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+
InChIKeyKZCHPZOHTBQOQV-OQLLNIDSSA-N
MW272.26 g/mol
LogP2.98
Rot. Bonds5

About (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 6898170) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID6898170
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1
InChIInChI=1S/C14H12N2O4/c17-15-9-12-3-1-2-4-14(12)20-10-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+
InChIKeyKZCHPZOHTBQOQV-OQLLNIDSSA-N
XLogP2.98
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
2-(2-nitrophenyl)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 3403586
N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 21370288
(1R,2S,6R,7R)-4-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126152155
2-(2-methyl-1,3-dithiolan-2-yl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126233278
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938
N-(4-chlorophenyl)-2-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]oxyacetamide
CID 3953634
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
N-(3-methoxypropyl)-N'-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902887

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 6898170) is (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine is O=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is KZCHPZOHTBQOQV-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-15-9-12-3-1-2-4-14(12)20-10-11-5-7-13(8-6-11)16(18)19/h1-9,17H,10H2/b15-9+.
What are the key properties of (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 272.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).