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NSC166109,51527-35-6, 4-(4-nitrophenyl)-1,3,3-tri(phenyl)azetidin-2-on

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摘 要:NSC166109,51527-35-6, 4-(4-nitrophenyl)-1,3,3-tri(phenyl)azetidin-2-one,Canonical SMILES: C1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=,C5,InChI: InChI=1/C27H20N2O3/c30-26-27(21-10-4-1-5-11-21,,22-12-6-2-7-13-22)25(28(26)23
[Synonyms]
NSC166109
51527-35-6

[Structure]
NSC166109,51527-35-6, 4-(4-nitrophenyl)-1,3,3-tri(phenyl)azetidin-2-on

[ Properties Computed from Structure]
Molecular Weight420.4593 [g/mol]
Molecular FormulaC27H20N2O3
XLogP6.4
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass420.147393
MonoIsotopic Mass420.147393
Topological Polar Surface Area63.5
Heavy Atom Count32
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(4-nitrophenyl)-1,3,3-tri(phenyl)azetidin-2-one
Canonical SMILES: C1=CC=C(C=C1)C2(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=
C5
InChI: InChI=1/C27H20N2O3/c30-26-27(21-10-4-1-5-11-21,
22-12-6-2-7-13-22)25(28(26)23-14-8-3-9-15-23)20-16-18-24(19-17-20)29(31)
32/h1-19,25H

 
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