N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C15H12N4O7 — CID 135439703

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O7/c20-13-6-5-10(7-12(13)19(24)25)8-16-17-15(21)9-26-14-4-2-1-3-11(14)18(22)23/h1-8,20H,9H2,(H,17,21)/b16-8+
InChIKeyGHAHCDDAOKDSDD-LZYBPNLTSA-N
MW360.28 g/mol
LogP1.74
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 135439703) has the molecular formula C15H12N4O7 and a molecular weight of 360.28 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID135439703
Molecular FormulaC15H12N4O7
Molecular Weight360.28 g/mol
Exact Mass360.07
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O7/c20-13-6-5-10(7-12(13)19(24)25)8-16-17-15(21)9-26-14-4-2-1-3-11(14)18(22)23/h1-8,20H,9H2,(H,17,21)/b16-8+
InChIKeyGHAHCDDAOKDSDD-LZYBPNLTSA-N
XLogP1.74
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-(4-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779768
(Z)-N'-(2-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135425037
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-[(1Z)-(4-hydroxy-3-nitrophenyl)methylene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135472784
N'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858
2-(4-Methyl-2-nitrophenoxy)-N'-[(Z)-(4-methylphenyl)methylidene]acetohydrazide
CID 5393383
2-(4-Methyl-2-nitrophenoxy)-N'-[(Z)-(5-methylfuran-2-YL)methylidene]acetohydrazide
CID 6286305
2-(4-methyl-2-nitrophenoxy)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 9690221
N'-[(Z)-(4-Hydroxyphenyl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135439742
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135688386

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 135439703) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is GHAHCDDAOKDSDD-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H12N4O7/c20-13-6-5-10(7-12(13)19(24)25)8-16-17-15(21)9-26-14-4-2-1-3-11(14)18(22)23/h1-8,20H,9H2,(H,17,21)/b16-8+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 360.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 135439703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).