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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromanyl-4-methyl-phenoxy)butanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(2-bromo-4-methyl-phenoxy)butanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide Traditional Name: 4-(2-bromo-4-methyl-phenoxy)-N-[(E)-piperonylideneamino]butyramide Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NN=CC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C19H19BrN2O4/c1-13-4-6-16(15(20)9-13)24-8-2-3-19(23)22-21-11-14-5-7-17-18(10-14)26-12-25-17/h4-7,9-11H,2-3,8,12H2,1H3,(H,22,23)/b21-11+