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3-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]propylcarbamic acid

3-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]propylcarbamic acid

Systemtic Name:3-[(5-ethynyl-2-iodanyl-phenyl)carbonylamino]propylcarbamic acid
Openeye Name:3-[(5-ethynyl-2-iodo-benzoyl)amino]propylcarbamic acid
CAS Name:3-[[(5-ethynyl-2-iodophenyl)-oxomethyl]amino]propylcarbamic acid
IUPAC Name:3-[(5-ethynyl-2-iodobenzoyl)amino]propylcarbamic acid
Traditional Name:3-[(5-ethynyl-2-iodo-benzoyl)amino]propylcarbamic acid
Formula: C13H13IN2O3
MolecularWeight: 372.15839
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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)I)C(=O)NCCCNC(=O)O


Isomeric SMILES

C#CC1=CC(=C(C=C1)I)C(=O)NCCCNC(=O)O


InChI

InChI=1S/C13H13IN2O3/c1-2-9-4-5-11(14)10(8-9)12(17)15-6-3-7-16-13(18)19/h1,4-5,8,16H,3,6-7H2,(H,15,17)(H,18,19)


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