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N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-,yloxyac

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摘 要: N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-,yloxyacetamide,Canonical SMILES: COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-],InChI: InChI=1/C20H17N3O5/c1-27-19-9-6-14(10-18(19)23(25)26)12-21-22-20(24)13-,28-17-8-7-15-4-
[Synonyms]

[Structure]
 N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-,yloxyac

[ Properties Computed from Structure]
Molecular Weight379.36608 [g/mol]
Molecular FormulaC20H17N3O5
XLogP4.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass379.116821
MonoIsotopic Mass379.116821
Topological Polar Surface Area103
Heavy Atom Count28
Formal Charge0
Complexity565
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-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-
yloxyacetamide
Canonical SMILES: COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]
InChI: InChI=1/C20H17N3O5/c1-27-19-9-6-14(10-18(19)23(25)26)12-21-22-20(24)13-
28-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H,22,24)/f/h22H

 
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