N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-3-bromanyl-propanamide

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-3-bromanyl-propanamide Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl]-3-bromo-propanamide CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl]-3-bromopropanamide IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-3-bromopropanamide Traditional Name: N-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl]-3-bromo-propionamide Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CCBr

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CCBr

InChI

InChI=1S/C14H13BrN2O4/c15-4-3-14(18)16-7-10-6-12(21-17-10)9-1-2-11-13(5-9)20-8-19-11/h1-2,5-6H,3-4,7-8H2,(H,16,18)