1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene

C16H12N2O5 — CID 22352871

IUPAC1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene
SMILESC=C(OC(=C)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N2O5/c1-11(13-7-3-5-9-15(13)17(19)20)23-12(2)14-8-4-6-10-16(14)18(21)22/h3-10H,1-2H2
InChIKeyJOJKQYBQULVDJK-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.16
Rot. Bonds6

About 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene

1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene (PubChem CID 22352871) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene.

Molecular Properties

Compound Name1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene
PubChem CID22352871
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene
SMILESC=C(OC(=C)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N2O5/c1-11(13-7-3-5-9-15(13)17(19)20)23-12(2)14-8-4-6-10-16(14)18(21)22/h3-10H,1-2H2
InChIKeyJOJKQYBQULVDJK-UHFFFAOYSA-N
XLogP4.16
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
benzene;2-nitrobenzoic acid
CID 19891435
sodium;hydride;2-nitrobenzoic acid
CID 173210089
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
(2-nitrobenzoyl) 2-(hydroxyamino)benzoate
CID 175536573
cyano 2-nitrobenzoate
CID 154624336
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
(2-nitrophenyl)-oxomethanesulfonic acid
CID 150696280
ethoxycarbonyl 2-nitrobenzoate
CID 19805482

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene?
The IUPAC name of 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene (CID 22352871) is 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene.
What is the SMILES notation for 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene?
The canonical SMILES for 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene is C=C(OC(=C)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene?
The InChIKey is JOJKQYBQULVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-11(13-7-3-5-9-15(13)17(19)20)23-12(2)14-8-4-6-10-16(14)18(21)22/h3-10H,1-2H2.
What are the key properties of 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene?
1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene has a molecular weight of 312.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene is sourced from PubChem (CID 22352871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).