(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine

C19H13NO4 — CID 10639320

IUPAC(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine
SMILESO=[N+]([O-])c1ccccc1/C=C1/COc2cc3ccccc3cc2O1
InChIInChI=1S/C19H13NO4/c21-20(22)17-8-4-3-7-15(17)9-16-12-23-18-10-13-5-1-2-6-14(13)11-19(18)24-16/h1-11H,12H2/b16-9-
InChIKeyZUIMTKWOQMYUSX-SXGWCWSVSA-N
MW319.32 g/mol
LogP4.56
Rot. Bonds2

About (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine

(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine (PubChem CID 10639320) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine.

Molecular Properties

Compound Name(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine
PubChem CID10639320
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine
SMILESO=[N+]([O-])c1ccccc1/C=C1/COc2cc3ccccc3cc2O1
InChIInChI=1S/C19H13NO4/c21-20(22)17-8-4-3-7-15(17)9-16-12-23-18-10-13-5-1-2-6-14(13)11-19(18)24-16/h1-11H,12H2/b16-9-
InChIKeyZUIMTKWOQMYUSX-SXGWCWSVSA-N
XLogP4.56
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
CID 15194332
(3Z)-3-[(2-nitrophenyl)methylidene]chromen-4-one
CID 2449547
(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 24506556
2,6-bis[(2-nitrophenyl)methylidene]cyclohexan-1-one
CID 577023
(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
CID 177418726
(3Z,5E)-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 89154568
sodium 2-nitrobenzaldehyde
CID 23669302
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
3-nitronaphthalene-2-carbaldehyde
CID 12069028
(4E)-4-[(2-nitrophenyl)methylidene]-1,2,3,5-oxathiadiazolidine 2-oxide
CID 117062520
2-[(2-nitrophenyl)methylidene]indene-1,3-dione
CID 616194
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine?
The IUPAC name of (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine (CID 10639320) is (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine.
What is the SMILES notation for (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine?
The canonical SMILES for (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine is O=[N+]([O-])c1ccccc1/C=C1/COc2cc3ccccc3cc2O1.
What is the InChIKey of (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine?
The InChIKey is ZUIMTKWOQMYUSX-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H13NO4/c21-20(22)17-8-4-3-7-15(17)9-16-12-23-18-10-13-5-1-2-6-14(13)11-19(18)24-16/h1-11H,12H2/b16-9-.
What are the key properties of (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine?
(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine has a molecular weight of 319.32 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine is sourced from PubChem (CID 10639320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).