[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate

C22H19N3O4 — CID 6269804

IUPAC[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
SMILESC/C(Cc1ccccc1OC(=O)c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19N3O4/c1-16(23-24-19-11-13-20(14-12-19)25(27)28)15-18-9-5-6-10-21(18)29-22(26)17-7-3-2-4-8-17/h2-14,24H,15H2,1H3/b23-16-
InChIKeyHKZBREDJQZQELZ-KQWNVCNZSA-N
MW389.41 g/mol
LogP4.84
Rot. Bonds7

About [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate

[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate (PubChem CID 6269804) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
PubChem CID6269804
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
SMILESC/C(Cc1ccccc1OC(=O)c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19N3O4/c1-16(23-24-19-11-13-20(14-12-19)25(27)28)15-18-9-5-6-10-21(18)29-22(26)17-7-3-2-4-8-17/h2-14,24H,15H2,1H3/b23-16-
InChIKeyHKZBREDJQZQELZ-KQWNVCNZSA-N
XLogP4.84
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-4-nitrobenzamide
CID 9015021
[4-[[4-benzoyloxy-3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl]methyl]-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzoate
CID 56696784
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
[2-(4-nitrobenzoyl)oxyphenyl]methyl-triphenylphosphanium bromide
CID 52920671
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
(2Z,3Z)-3-methoxyimino-2-[(4-nitrophenyl)hydrazinylidene]-1-phenylpropan-1-one
CID 40512668
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604

Frequently Asked Questions

What is the IUPAC name of [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate?
The IUPAC name of [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate (CID 6269804) is [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate.
What is the SMILES notation for [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate?
The canonical SMILES for [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate is C/C(Cc1ccccc1OC(=O)c1ccccc1)=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate?
The InChIKey is HKZBREDJQZQELZ-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-16(23-24-19-11-13-20(14-12-19)25(27)28)15-18-9-5-6-10-21(18)29-22(26)17-7-3-2-4-8-17/h2-14,24H,15H2,1H3/b23-16-.
What are the key properties of [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate?
[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate has a molecular weight of 389.41 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate is sourced from PubChem (CID 6269804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).