2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate

C16H14N3O6- — CID 135783746

IUPAC2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2O)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-12(15(14)21)19(23)24)9-17-18-16(22)11-5-3-4-6-13(11)20/h3-9,20-21H,2H2,1H3,(H,18,22)/p-1/b17-9+
InChIKeyRNUIBIHFFILWJU-RQZCQDPDSA-M
MW344.30 g/mol
LogP1.54
Rot. Bonds6

About 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate

2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate (PubChem CID 135783746) has the molecular formula C16H14N3O6- and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
PubChem CID135783746
Molecular FormulaC16H14N3O6-
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2O)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-12(15(14)21)19(23)24)9-17-18-16(22)11-5-3-4-6-13(11)20/h3-9,20-21H,2H2,1H3,(H,18,22)/p-1/b17-9+
InChIKeyRNUIBIHFFILWJU-RQZCQDPDSA-M
XLogP1.54
TPSA137.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-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

4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate
CID 7369614
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135554747
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 110512071
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 110509500
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156041
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxy-6-nitrophenolate
CID 8897281
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 136874460

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate?
The IUPAC name of 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate (CID 135783746) is 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate.
What is the SMILES notation for 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate?
The canonical SMILES for 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate is CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate?
The InChIKey is RNUIBIHFFILWJU-RQZCQDPDSA-M. The full InChI is InChI=1S/C16H15N3O6/c1-2-25-14-8-10(7-12(15(14)21)19(23)24)9-17-18-16(22)11-5-3-4-6-13(11)20/h3-9,20-21H,2H2,1H3,(H,18,22)/p-1/b17-9+.
What are the key properties of 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate?
2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate has a molecular weight of 344.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate is sourced from PubChem (CID 135783746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).