2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline

C14H12N6O4 — CID 27137964

IUPAC2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C\C=N\Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N6O4/c21-19(22)13-7-3-1-5-11(13)17-15-9-10-16-18-12-6-2-4-8-14(12)20(23)24/h1-10,17-18H/b15-9-,16-10+
InChIKeyWOCPPMMIJVAUNC-CKOAPEAFSA-N
MW328.29 g/mol
LogP3.00
Rot. Bonds7

About 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline

2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline (PubChem CID 27137964) has the molecular formula C14H12N6O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline.

Molecular Properties

Compound Name2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
PubChem CID27137964
Molecular FormulaC14H12N6O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC Name2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C\C=N\Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N6O4/c21-19(22)13-7-3-1-5-11(13)17-15-9-10-16-18-12-6-2-4-8-14(12)20(23)24/h1-10,17-18H/b15-9-,16-10+
InChIKeyWOCPPMMIJVAUNC-CKOAPEAFSA-N
XLogP3.00
TPSA135.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
CID 135620066
ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 27276473
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
(1Z,2R,3R,4S,5S)-1-[(2-nitrophenyl)hydrazinylidene]hexane-2,3,4,5-tetrol
CID 92973943
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295
4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7415322
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
(2S,3R,4R,5S,6E)-2,3,4,5-tetrahydroxy-6-[(2-nitrophenyl)hydrazinylidene]hexanoic acid
CID 10640063
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-nitroaniline
CID 135580611
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline?
The IUPAC name of 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline (CID 27137964) is 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline.
What is the SMILES notation for 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline?
The canonical SMILES for 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline is O=[N+]([O-])c1ccccc1N/N=C\C=N\Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline?
The InChIKey is WOCPPMMIJVAUNC-CKOAPEAFSA-N. The full InChI is InChI=1S/C14H12N6O4/c21-19(22)13-7-3-1-5-11(13)17-15-9-10-16-18-12-6-2-4-8-14(12)20(23)24/h1-10,17-18H/b15-9-,16-10+.
What are the key properties of 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline?
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline has a molecular weight of 328.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline is sourced from PubChem (CID 27137964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).