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(Z)-3-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide,Canonical

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摘 要: (Z)-3-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide,Canonical SMILES: COC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)I)OC,Isomeric SMILES: COC1=CC(=C(C=C1)\C=C/C(=O)NC2=CC=C(C=C2)I)OC,InChI: InChI=1/C17H16INO3/c1-21-15-9-3-12(16(11-15)22-2)4-10-17(20)
[Synonyms]

[Structure]
 (Z)-3-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide,Canonical

[ Properties Computed from Structure]
Molecular Weight409.21831 [g/mol]
Molecular FormulaC17H16INO3
XLogP4.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass409.017486
MonoIsotopic Mass409.017486
Topological Polar Surface Area47.6
Heavy Atom Count22
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (Z)-3-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
Canonical SMILES: COC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)I)OC
Isomeric SMILES: COC1=CC(=C(C=C1)\C=C/C(=O)NC2=CC=C(C=C2)I)OC
InChI: InChI=1/C17H16INO3/c1-21-15-9-3-12(16(11-15)22-2)4-10-17(20)19-14-7-5-13
(18)6-8-14/h3-11H,1-2H3,(H,19,20)/b10-4-/f/h19H

 
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