4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one

C23H17N3O5 — CID 57399736

IUPAC4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H17N3O5/c27-23-12-17(14-24-25-18-6-8-19(9-7-18)26(28)29)21-11-10-20(13-22(21)31-23)30-15-16-4-2-1-3-5-16/h1-14,25H,15H2/b24-14-
InChIKeyKNAKRCWMYCPVPJ-OYKKKHCWSA-N
MW415.41 g/mol
LogP4.73
Rot. Bonds7

About 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one

4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one (PubChem CID 57399736) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
PubChem CID57399736
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
SMILESO=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C23H17N3O5/c27-23-12-17(14-24-25-18-6-8-19(9-7-18)26(28)29)21-11-10-20(13-22(21)31-23)30-15-16-4-2-1-3-5-16/h1-14,25H,15H2/b24-14-
InChIKeyKNAKRCWMYCPVPJ-OYKKKHCWSA-N
XLogP4.73
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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'}

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Related Compounds

N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-2-nitroaniline
CID 9654396
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135521465
N-(2-Benzyloxy-benzylidene)-N'-(4-nitro-phenyl)-hydrazine
CID 5720702
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
CID 6862050
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
CID 9619223
4-[(2-Aminophenyl)iminomethyl]-7-phenylmethoxychromen-2-one
CID 56928518
4-[(2-Aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
CID 57394535
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
CID 57403253
4-[(Z)-(phenylhydrazinylidene)methyl]-7-phenylmethoxychromen-2-one
CID 56928517
4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one
CID 57391016
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one
CID 57392787
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5,7-bis(phenylmethoxy)chromen-2-one
CID 57403254

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one (CID 57399736) is 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one is O=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
The InChIKey is KNAKRCWMYCPVPJ-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-23-12-17(14-24-25-18-6-8-19(9-7-18)26(28)29)21-11-10-20(13-22(21)31-23)30-15-16-4-2-1-3-5-16/h1-14,25H,15H2/b24-14-.
What are the key properties of 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one?
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one has a molecular weight of 415.41 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 57399736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).