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4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate,

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摘 要: 4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate,Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=O)C3=CC=NC=C3)C(=O)[O-],InChI: InChI=1/C18H13N3O4/c22-17(13-7-9-19-10-8-13)21-20-11-15-5-6-16(25-15)12-,1-3-14(4-2-12)18(23)24/h1-11
[Synonyms]

[Structure]
 4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate,

[ Properties Computed from Structure]
Molecular Weight334.30558 [g/mol]
Molecular FormulaC18H12N3O4-
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count2
Exact Mass334.082781
MonoIsotopic Mass334.082781
Topological Polar Surface Area108
Heavy Atom Count25
Formal Charge-1
Complexity491
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-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=O)C3=CC=NC=C3)C(=O)[O-]
InChI: InChI=1/C18H13N3O4/c22-17(13-7-9-19-10-8-13)21-20-11-15-5-6-16(25-15)12-
1-3-14(4-2-12)18(23)24/h1-11H,(H,21,22)(H,23,
24)/p-1/fC18H12N3O4/h21H/q-1

 
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