N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide

C15H12N4O7 — CID 136844919

IUPACN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H12N4O7/c1-26-13-7-9(6-12(14(13)20)19(24)25)8-16-17-15(21)10-4-2-3-5-11(10)18(22)23/h2-8,20H,1H3,(H,17,21)/b16-8-
InChIKeyCPTZBUFBBGWBIC-PXNMLYILSA-N
MW360.28 g/mol
LogP1.98
Rot. Bonds6

About N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide

N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide (PubChem CID 136844919) has the molecular formula C15H12N4O7 and a molecular weight of 360.28 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
PubChem CID136844919
Molecular FormulaC15H12N4O7
Molecular Weight360.28 g/mol
Exact Mass360.07
IUPAC NameN-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H12N4O7/c1-26-13-7-9(6-12(14(13)20)19(24)25)8-16-17-15(21)10-4-2-3-5-11(10)18(22)23/h2-8,20H,1H3,(H,17,21)/b16-8-
InChIKeyCPTZBUFBBGWBIC-PXNMLYILSA-N
XLogP1.98
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-fluoro-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135583258
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137045197
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135852510
3-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135673815
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
(E)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 135617979
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
1-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135552116
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide (CID 136844919) is N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide is COc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide?
The InChIKey is CPTZBUFBBGWBIC-PXNMLYILSA-N. The full InChI is InChI=1S/C15H12N4O7/c1-26-13-7-9(6-12(14(13)20)19(24)25)8-16-17-15(21)10-4-2-3-5-11(10)18(22)23/h2-8,20H,1H3,(H,17,21)/b16-8-.
What are the key properties of N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide?
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide has a molecular weight of 360.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 136844919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).