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2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitrophenol,Canoni

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摘 要: 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitrophenol,Canonical SMILES: CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CCOCC3)O,InChI: InChI=1/C19H21N3O5/c1-2-27-18-12-17(22(24)25)11-14(19(18)23)13-20-15-3-,5-16(6-4-15)21-7-9-26-10-8-21/h
[Synonyms]

[Structure]
 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitrophenol,Canoni

[ Properties Computed from Structure]
Molecular Weight371.38714 [g/mol]
Molecular FormulaC19H21N3O5
XLogP3
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count5
Tautomer Count6
Exact Mass371.148121
MonoIsotopic Mass371.148121
Topological Polar Surface Area97.4
Heavy Atom Count27
Formal Charge0
Complexity498
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: 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-nitrophenol
Canonical SMILES: CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N3CCOCC3)O
InChI: InChI=1/C19H21N3O5/c1-2-27-18-12-17(22(24)25)11-14(19(18)23)13-20-15-3-
5-16(6-4-15)21-7-9-26-10-8-21/h3-6,11-13,23H,2,7-10H2,1H3/b20-13+

 
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