methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate

C18H17N3O7 — CID 126182183

IUPACmethyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H17N3O7/c1-26-16-8-5-13(21(24)25)9-15(16)18(23)20-19-10-12-3-6-14(7-4-12)28-11-17(22)27-2/h3-10H,11H2,1-2H3,(H,20,23)/b19-10-
InChIKeyDLSCMYHKHGWSJN-GRSHGNNSSA-N
MW387.35 g/mol
LogP1.92
Rot. Bonds8

About methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate

methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 126182183) has the molecular formula C18H17N3O7 and a molecular weight of 387.35 g/mol. Its IUPAC name is methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID126182183
Molecular FormulaC18H17N3O7
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC Namemethyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H17N3O7/c1-26-16-8-5-13(21(24)25)9-15(16)18(23)20-19-10-12-3-6-14(7-4-12)28-11-17(22)27-2/h3-10H,11H2,1-2H3,(H,20,23)/b19-10-
InChIKeyDLSCMYHKHGWSJN-GRSHGNNSSA-N
XLogP1.92
TPSA129.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126186109
methyl 2-[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3728315
methyl 2-[4-[(Z)-[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6246445
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126266681
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
[4-[[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
CID 3868279
2,4-dimethoxy-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4218029
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6148234
methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 5426953
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396318
methyl 2-[2-chloro-6-methoxy-4-[[(4-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3946078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 126182183) is methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is DLSCMYHKHGWSJN-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H17N3O7/c1-26-16-8-5-13(21(24)25)9-15(16)18(23)20-19-10-12-3-6-14(7-4-12)28-11-17(22)27-2/h3-10H,11H2,1-2H3,(H,20,23)/b19-10-.
What are the key properties of methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 387.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 126182183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).