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

C16H14N3O6- — CID 135554747

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

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

2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 135554747) has the molecular formula C16H14N3O6- and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID135554747
Molecular FormulaC16H14N3O6-
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1[O-]
InChIInChI=1S/C16H15N3O6/c1-2-25-14-8-11(19(23)24)7-10(15(14)21)9-17-18-16(22)12-5-3-4-6-13(12)20/h3-9,20-21H,2H2,1H3,(H,18,22)/p-1/b17-9+
InChIKeyZWNUNHFLYUJVLN-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'}

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Related Compounds

2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7308981
2-ethoxy-4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 135783746
2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-ethoxy-4-nitrophenolate
CID 7368890
2-ethoxy-6-[(Z)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]-4-nitrophenolate
CID 7341344
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135643043
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137138898
(2S)-N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135562392

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate (CID 135554747) is 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1[O-].
What is the InChIKey of 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is ZWNUNHFLYUJVLN-RQZCQDPDSA-M. The full InChI is InChI=1S/C16H15N3O6/c1-2-25-14-8-11(19(23)24)7-10(15(14)21)9-17-18-16(22)12-5-3-4-6-13(12)20/h3-9,20-21H,2H2,1H3,(H,18,22)/p-1/b17-9+.
What are the key properties of 2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate?
2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-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-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 135554747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).