4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene

C15H11BrN2O5 — CID 126374464

IUPAC4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11BrN2O5/c16-13-3-6-15(12(9-13)7-8-17(19)20)23-10-11-1-4-14(5-2-11)18(21)22/h1-9H,10H2/b8-7+
InChIKeyZIOYASDJCVWJKF-BQYQJAHWSA-N
MW379.17 g/mol
LogP4.18
Rot. Bonds6

About 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene

4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene (PubChem CID 126374464) has the molecular formula C15H11BrN2O5 and a molecular weight of 379.17 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
PubChem CID126374464
Molecular FormulaC15H11BrN2O5
Molecular Weight379.17 g/mol
Exact Mass377.99
IUPAC Name4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11BrN2O5/c16-13-3-6-15(12(9-13)7-8-17(19)20)23-10-11-1-4-14(5-2-11)18(21)22/h1-9H,10H2/b8-7+
InChIKeyZIOYASDJCVWJKF-BQYQJAHWSA-N
XLogP4.18
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[[4-bromo-2-(2-nitroethenyl)phenoxy]methyl]benzonitrile
CID 1494564
4-bromo-1-methyl-2-[(4-nitrophenyl)methoxy]benzene
CID 107283936
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 4619439
5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21209476
2-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 60904816
(Z)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652535
1-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]ethanamine
CID 62369867
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
CID 1260892
2-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 18772896
(Z)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-N-carbamoyl-2-cyanoprop-2-enamide
CID 126239560
5-amino-2-[(4-nitrophenyl)methoxy]benzaldehyde
CID 89035759

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene (CID 126374464) is 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene is O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is ZIOYASDJCVWJKF-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11BrN2O5/c16-13-3-6-15(12(9-13)7-8-17(19)20)23-10-11-1-4-14(5-2-11)18(21)22/h1-9H,10H2/b8-7+.
What are the key properties of 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene?
4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene has a molecular weight of 379.17 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 126374464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).