4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate

C16H13N4O5- — CID 8897399

IUPAC4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N4O5/c1-10-2-5-12(6-3-10)18-15(22)16(23)19-17-9-11-4-7-14(21)13(8-11)20(24)25/h2-9,21H,1H3,(H,18,22)(H,19,23)/p-1/b17-9-
InChIKeySYOJERWQCFDTDA-MFOYZWKCSA-M
MW341.30 g/mol
LogP1.07
Rot. Bonds4

About 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate

4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate (PubChem CID 8897399) has the molecular formula C16H13N4O5- and a molecular weight of 341.30 g/mol. Its IUPAC name is 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate
PubChem CID8897399
Molecular FormulaC16H13N4O5-
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Name4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N4O5/c1-10-2-5-12(6-3-10)18-15(22)16(23)19-17-9-11-4-7-14(21)13(8-11)20(24)25/h2-9,21H,1H3,(H,18,22)(H,19,23)/p-1/b17-9-
InChIKeySYOJERWQCFDTDA-MFOYZWKCSA-M
XLogP1.07
TPSA136.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135813981
N'-[(4-methyl-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4033368
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4520832
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813962
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-methyloxamide
CID 135813963
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
4-[[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 3383054
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7032585

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The IUPAC name of 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate (CID 8897399) is 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The canonical SMILES for 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate is Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate?
The InChIKey is SYOJERWQCFDTDA-MFOYZWKCSA-M. The full InChI is InChI=1S/C16H14N4O5/c1-10-2-5-12(6-3-10)18-15(22)16(23)19-17-9-11-4-7-14(21)13(8-11)20(24)25/h2-9,21H,1H3,(H,18,22)(H,19,23)/p-1/b17-9-.
What are the key properties of 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate?
4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate has a molecular weight of 341.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-nitrophenolate is sourced from PubChem (CID 8897399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).