N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline

C15H15N3O3 — CID 6131807

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
SMILESCCOc1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c1-2-21-13-9-7-12(8-10-13)11-16-17-14-5-3-4-6-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-11-
InChIKeyRANNIQZSDIVBEG-WJDWOHSUSA-N
MW285.30 g/mol
LogP3.44
Rot. Bonds6

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline (PubChem CID 6131807) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
PubChem CID6131807
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
SMILESCCOc1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O3/c1-2-21-13-9-7-12(8-10-13)11-16-17-14-5-3-4-6-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-11-
InChIKeyRANNIQZSDIVBEG-WJDWOHSUSA-N
XLogP3.44
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 6132295
2-methoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135559917
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-nitroaniline
CID 9059222
N-[(4-butoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 3924032
ethyl (2Z)-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 27276473
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126013868
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline (CID 6131807) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline is CCOc1ccc(/C=N\Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline?
The InChIKey is RANNIQZSDIVBEG-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-21-13-9-7-12(8-10-13)11-16-17-14-5-3-4-6-15(14)18(19)20/h3-11,17H,2H2,1H3/b16-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline has a molecular weight of 285.30 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline is sourced from PubChem (CID 6131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).