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3-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoyl]chromen-2-one

3-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoyl]chromen-2-one

Systemtic Name:3-[2-(3-iodanyl-1,2,4-triazol-1-yl)ethanoyl]chromen-2-one
Openeye Name:3-[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]chromen-2-one
CAS Name:3-[2-(3-iodo-1,2,4-triazol-1-yl)-1-oxoethyl]-1-benzopyran-2-one
IUPAC Name:3-[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]chromen-2-one
Traditional Name:3-[2-(3-iodo-1,2,4-triazol-1-yl)acetyl]coumarin
Formula: C13H8IN3O3
MolecularWeight: 381.12539
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CN3C=NC(=N3)I


Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CN3C=NC(=N3)I


InChI

InChI=1S/C13H8IN3O3/c14-13-15-7-17(16-13)6-10(18)9-5-8-3-1-2-4-11(8)20-12(9)19/h1-5,7H,6H2


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