2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-cyano-benzamide

Systemtic Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-cyano-benzamide Openeye Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-cyano-benzamide CAS Name: 2-[[3-(chloromethyl)-5-isoxazolyl]methyl]-4-cyanobenzamide IUPAC Name: 2-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-cyanobenzamide Traditional Name: 2-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-cyano-benzamide Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CC2=CC(=NO2)CCl)C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C#N)CC2=CC(=NO2)CCl)C(=O)N

InChI

InChI=1S/C13H10ClN3O2/c14-6-10-5-11(19-17-10)4-9-3-8(7-15)1-2-12(9)13(16)18/h1-3,5H,4,6H2,(H2,16,18)