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ZINC00224106,EU-0050908,A0738/0034451, 1-(4-chloro-3-nitrophenyl)-N-(3

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摘 要:ZINC00224106,EU-0050908,A0738/0034451, 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine,Canonical SMILES: COC1=C(C=C(C=C1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC,InChI: InChI=1/C15H13ClN2O4/c1-21-14-6-4-11(8-15(14)22-2)17-9-10-3-5-12(16)13,(
[Synonyms]
ZINC00224106
EU-0050908
A0738/0034451

[Structure]
ZINC00224106,EU-0050908,A0738/0034451, 1-(4-chloro-3-nitrophenyl)-N-(3

[ Properties Computed from Structure]
Molecular Weight320.72772 [g/mol]
Molecular FormulaC15H13ClN2O4
XLogP3.5
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass320.056385
MonoIsotopic Mass320.056385
Topological Polar Surface Area74
Heavy Atom Count22
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
Canonical SMILES: COC1=C(C=C(C=C1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC
InChI: InChI=1/C15H13ClN2O4/c1-21-14-6-4-11(8-15(14)22-2)17-9-10-3-5-12(16)13
(7-10)18(19)20/h3-9H,1-2H3/b17-9+

 
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