1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone

C16H14N2O4 — CID 9172281

IUPAC1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CO/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N2O4/c1-12(19)15-7-5-13(6-8-15)11-22-17-10-14-3-2-4-16(9-14)18(20)21/h2-10H,11H2,1H3/b17-10-
InChIKeyRGDPFNWAXDMQAI-YVLHZVERSA-N
MW298.30 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone

1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone (PubChem CID 9172281) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
PubChem CID9172281
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CO/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N2O4/c1-12(19)15-7-5-13(6-8-15)11-22-17-10-14-3-2-4-16(9-14)18(20)21/h2-10H,11H2,1H3/b17-10-
InChIKeyRGDPFNWAXDMQAI-YVLHZVERSA-N
XLogP3.35
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(3-nitrophenyl)methylideneamino]oxymethyl]benzoate
CID 71833883
(E)-N-(1,3-benzodioxol-5-ylmethoxy)-1-(3-nitrophenyl)methanimine
CID 16545564
[4-[3-(3-nitrophenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(3-nitrophenyl)prop-2-enoate
CID 4573484
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]-N-methyl-N-[[4-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]phenyl]methyl]methanamine
CID 11038652
(4-chlorophenyl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2240580
2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 2415241
N-[(3-nitrophenyl)methylideneamino]propan-2-imine
CID 778583
(E)-N-[3-(3,5-dimethylphenoxy)propoxy]-1-(3-nitrophenyl)methanimine
CID 16960354
N-methyl-4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 134007409
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone (CID 9172281) is 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone is CC(=O)c1ccc(CO/N=C\c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone?
The InChIKey is RGDPFNWAXDMQAI-YVLHZVERSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-12(19)15-7-5-13(6-8-15)11-22-17-10-14-3-2-4-16(9-14)18(20)21/h2-10H,11H2,1H3/b17-10-.
What are the key properties of 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone?
1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone has a molecular weight of 298.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone is sourced from PubChem (CID 9172281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).