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NSC118855 4-nitro-N-(1-phenylnonylideneamino)aniline,Canonical SMILES:

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摘 要:NSC118855 4-nitro-N-(1-phenylnonylideneamino)aniline,Canonical SMILES: CCCCCCCCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2,InChI: InChI=1/C21H27N3O2/c1-2-3-4-5-6-10-13-21(18-11-8-7-9-12-18)23-22-19-14-,16-20(17-15-19)24(25)26/h7-9,11-12,14-17,22H,2-6,
[Synonyms]
NSC118855
[Structure]
NSC118855 4-nitro-N-(1-phenylnonylideneamino)aniline,Canonical SMILES:

[ Properties Computed from Structure]
Molecular Weight353.45798 [g/mol]
Molecular FormulaC21H27N3O2
XLogP8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count10
Exact Mass353.210327
MonoIsotopic Mass353.210327
Topological Polar Surface Area67.5
Heavy Atom Count26
Formal Charge0
Complexity420
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-(1-phenylnonylideneamino)aniline
Canonical SMILES: CCCCCCCCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2
InChI: InChI=1/C21H27N3O2/c1-2-3-4-5-6-10-13-21(18-11-8-7-9-12-18)23-22-19-14-
16-20(17-15-19)24(25)26/h7-9,11-12,14-17,22H,2-6,10,13H2,1H3

 
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