(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine

C17H17ClN2O5 — CID 31472099

IUPAC(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
SMILESCCOc1c(Cl)cc(/C=N\OCc2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-3-24-17-15(18)8-13(9-16(17)23-2)10-19-25-11-12-5-4-6-14(7-12)20(21)22/h4-10H,3,11H2,1-2H3/b19-10-
InChIKeyIHINHQWBLFIPTJ-GRSHGNNSSA-N
MW364.79 g/mol
LogP4.21
Rot. Bonds8

About (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine

(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine (PubChem CID 31472099) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
PubChem CID31472099
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
SMILESCCOc1c(Cl)cc(/C=N\OCc2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-3-24-17-15(18)8-13(9-16(17)23-2)10-19-25-11-12-5-4-6-14(7-12)20(21)22/h4-10H,3,11H2,1-2H3/b19-10-
InChIKeyIHINHQWBLFIPTJ-GRSHGNNSSA-N
XLogP4.21
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517359
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile
CID 124545500
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(4-nitrophenyl)methyl]prop-2-enamide
CID 75842197
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 5166677
(E)-2-benzamido-3-[3-chloro-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 6210168
(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methoxy]methanimine
CID 41076615
ethyl 2-[(5E)-5-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124642136
6-bromo-3-[[3-chloro-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126305839
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517346
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(2-methoxyphenyl)acetamide
CID 7706874
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-nitrobenzamide
CID 47063327

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine (CID 31472099) is (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine is CCOc1c(Cl)cc(/C=N\OCc2cccc([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine?
The InChIKey is IHINHQWBLFIPTJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-3-24-17-15(18)8-13(9-16(17)23-2)10-19-25-11-12-5-4-6-14(7-12)20(21)22/h4-10H,3,11H2,1-2H3/b19-10-.
What are the key properties of (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine?
(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine has a molecular weight of 364.79 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 31472099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).