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N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)

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摘 要: N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy),acetamide,Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Cl,InChI: InChI=1/C19H14ClN3O5/c20-14-7-5-13(6-8-14)17-10-9-15(28-17)11-21-22-19,(24)12-2
[Synonyms]

[Structure]
 N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)

[ Properties Computed from Structure]
Molecular Weight399.78456 [g/mol]
Molecular FormulaC19H14ClN3O5
XLogP4.8
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass399.062198
MonoIsotopic Mass399.062198
Topological Polar Surface Area107
Heavy Atom Count28
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenoxy)
acetamide
Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C19H14ClN3O5/c20-14-7-5-13(6-8-14)17-10-9-15(28-17)11-21-22-19
(24)12-27-18-4-2-1-3-16(18)23(25)26/h1-11H,12H2,(H,22,24)/f/h22H

 
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