4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

C15H12N4O4 — CID 23469562

IUPAC4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O4/c16-15(12-3-7-14(8-4-12)19(22)23)17-10-9-11-1-5-13(6-2-11)18(20)21/h1-10H,(H2,16,17)/b10-9+
InChIKeyUICWNFKZDPYAGX-MDZDMXLPSA-N
MW312.29 g/mol
LogP2.88
Rot. Bonds5

About 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (PubChem CID 23469562) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
PubChem CID23469562
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O4/c16-15(12-3-7-14(8-4-12)19(22)23)17-10-9-11-1-5-13(6-2-11)18(20)21/h1-10H,(H2,16,17)/b10-9+
InChIKeyUICWNFKZDPYAGX-MDZDMXLPSA-N
XLogP2.88
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
4-(dimethylamino)-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide;2-hydroxyethanesulfonic acid
CID 74054381
N-[[amino-(4-nitrophenyl)methylidene]amino]formamide
CID 131741178
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 88763345
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19294239
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (CID 23469562) is 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is N/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The InChIKey is UICWNFKZDPYAGX-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12N4O4/c16-15(12-3-7-14(8-4-12)19(22)23)17-10-9-11-1-5-13(6-2-11)18(20)21/h1-10H,(H2,16,17)/b10-9+.
What are the key properties of 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide has a molecular weight of 312.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 23469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).