N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]pentanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]pentanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]pentanamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pentanamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pentanamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]valeramide Formula: C13H15BrN2O3 MolecularWeight: 327.1738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN=CC1=CC2=C(C=C1Br)OCO2

Isomeric SMILES

CCCCC(=O)N/N=C/C1=CC2=C(C=C1Br)OCO2

InChI

InChI=1S/C13H15BrN2O3/c1-2-3-4-13(17)16-15-7-9-5-11-12(6-10(9)14)19-8-18-11/h5-7H,2-4,8H2,1H3,(H,16,17)/b15-7+