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[2-methoxy-4-[[(5-methyl1H-pyrazole-3-carbonyl)hydrazinylidene]methyl

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摘 要: [2-methoxy-4-[[(5-methyl1H-pyrazole-3-carbonyl)hydrazinylidene]methyl],phenyl] furan-2-carboxylate,Canonical SMILES: CC1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC,InChI: InChI=1/C18H16N4O5/c1-11-8-13(21-20-11)17(23)22-19-10-12-5-6-14(16(9-12
[Synonyms]

[Structure]
 [2-methoxy-4-[[(5-methyl1H-pyrazole-3-carbonyl)hydrazinylidene]methyl

[ Properties Computed from Structure]
Molecular Weight368.34344 [g/mol]
Molecular FormulaC18H16N4O5
XLogP2.8
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count7
Tautomer Count5
Exact Mass368.11207
MonoIsotopic Mass368.11207
Topological Polar Surface Area119
Heavy Atom Count27
Formal Charge0
Complexity558
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: [2-methoxy-4-[[(5-methyl1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]
phenyl] furan-2-carboxylate
Canonical SMILES: CC1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC
InChI: InChI=1/C18H16N4O5/c1-11-8-13(21-20-11)17(23)22-19-10-12-5-6-14(16(9-12)
25-2)27-18(24)15-4-3-7-26-15/h3-10H,1-2H3,(H,20,21)(H,22,23)/f/h20,22H

 
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