N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromanyl-4-tert-butyl-phenoxy)butanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromanyl-4-tert-butyl-phenoxy)butanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(2-bromo-4-tert-butyl-phenoxy)butanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromo-4-tert-butylphenoxy)butanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromo-4-tert-butylphenoxy)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[(E)-piperonylideneamino]butyramide Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NN=CC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C22H25BrN2O4/c1-22(2,3)16-7-9-18(17(23)12-16)27-10-4-5-21(26)25-24-13-15-6-8-19-20(11-15)29-14-28-19/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,25,26)/b24-13+