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NSC151876,94205-93-3, 4-nitro-N-(quinolin-4-ylmethylideneamino)aniline

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摘 要:NSC151876,94205-93-3, 4-nitro-N-(quinolin-4-ylmethylideneamino)aniline,Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=CC=C(C=C3)[N+](=O)[O-],InChI: InChI=1/C16H12N4O2/c21-20(22)14-7-5-13(6-8-14)19-18-11-12-9-10-17-16-4-,2-1-3-15(12)16/h1-11,19H,Mole
[Synonyms]
NSC151876
94205-93-3

[Structure]
NSC151876,94205-93-3, 4-nitro-N-(quinolin-4-ylmethylideneamino)aniline

[ Properties Computed from Structure]
Molecular Weight292.29208 [g/mol]
Molecular FormulaC16H12N4O2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count3
Exact Mass292.096026
MonoIsotopic Mass292.096026
Topological Polar Surface Area80.4
Heavy Atom Count22
Formal Charge0
Complexity401
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: 4-nitro-N-(quinolin-4-ylmethylideneamino)aniline
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1/C16H12N4O2/c21-20(22)14-7-5-13(6-8-14)19-18-11-12-9-10-17-16-4-
2-1-3-15(12)16/h1-11,19H

 
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