4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate

C15H12N3O4- — CID 6955397

IUPAC4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
SMILESO=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/p-1/b16-10-
InChIKeyYADCQTBJYQWOLZ-YBEGLDIGSA-M
MW298.28 g/mol
LogP1.36
Rot. Bonds5

About 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate

4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate (PubChem CID 6955397) has the molecular formula C15H12N3O4- and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate.

Molecular Properties

Compound Name4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
PubChem CID6955397
Molecular FormulaC15H12N3O4-
Molecular Weight298.28 g/mol
Exact Mass298.08
IUPAC Name4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
SMILESO=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/p-1/b16-10-
InChIKeyYADCQTBJYQWOLZ-YBEGLDIGSA-M
XLogP1.36
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate 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-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3383758
2-[(Z)-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6967325
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
2-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7073727
N-[(E)-(2-cyanophenyl)methylideneamino]-2-(3-nitrophenyl)acetamide
CID 75394011
2-[[[4-(4-methylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6998777
2-(benzyliminomethyl)-4-nitrophenolate
CID 2185214
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylethanethioamide
CID 137061565
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate?
The IUPAC name of 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate (CID 6955397) is 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate.
What is the SMILES notation for 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate?
The canonical SMILES for 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate is O=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1[O-].
What is the InChIKey of 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate?
The InChIKey is YADCQTBJYQWOLZ-YBEGLDIGSA-M. The full InChI is InChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/p-1/b16-10-.
What are the key properties of 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate?
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate has a molecular weight of 298.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate is sourced from PubChem (CID 6955397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).