2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate

C19H19N4O6- — CID 7311322

IUPAC2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
SMILESCCOc1ccc(NC(=O)CCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1
InChIInChI=1S/C19H20N4O6/c1-2-29-16-6-3-14(4-7-16)21-18(25)9-10-19(26)22-20-12-13-11-15(23(27)28)5-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,21,25)(H,22,26)/p-1/b20-12-
InChIKeyVDBVQXKQVWYYAL-NDENLUEZSA-M
MW399.38 g/mol
LogP1.94
Rot. Bonds9

About 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate

2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate (PubChem CID 7311322) has the molecular formula C19H19N4O6- and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate.

Molecular Properties

Compound Name2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
PubChem CID7311322
Molecular FormulaC19H19N4O6-
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
SMILESCCOc1ccc(NC(=O)CCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1
InChIInChI=1S/C19H20N4O6/c1-2-29-16-6-3-14(4-7-16)21-18(25)9-10-19(26)22-20-12-13-11-15(23(27)28)5-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,21,25)(H,22,26)/p-1/b20-12-
InChIKeyVDBVQXKQVWYYAL-NDENLUEZSA-M
XLogP1.94
TPSA145.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 51.94
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-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-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

2-[[[4-(4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6998777
4-nitro-2-[[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenolate
CID 6998834
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 4029850
N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5431266
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate?
The IUPAC name of 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate (CID 7311322) is 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate.
What is the SMILES notation for 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate?
The canonical SMILES for 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate is CCOc1ccc(NC(=O)CCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1.
What is the InChIKey of 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate?
The InChIKey is VDBVQXKQVWYYAL-NDENLUEZSA-M. The full InChI is InChI=1S/C19H20N4O6/c1-2-29-16-6-3-14(4-7-16)21-18(25)9-10-19(26)22-20-12-13-11-15(23(27)28)5-8-17(13)24/h3-8,11-12,24H,2,9-10H2,1H3,(H,21,25)(H,22,26)/p-1/b20-12-.
What are the key properties of 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate?
2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate has a molecular weight of 399.38 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate is sourced from PubChem (CID 7311322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).