N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)amino]butanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)amino]butanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(4-bromoanilino)butanamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromoanilino)butanamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromoanilino)butanamide Traditional Name: 2-(4-bromoanilino)-N-[(E)-piperonylideneamino]butyramide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NN=CC1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C(=O)N/N=C/C1=CC2=C(C=C1)OCO2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c1-2-15(21-14-6-4-13(19)5-7-14)18(23)22-20-10-12-3-8-16-17(9-12)25-11-24-16/h3-10,15,21H,2,11H2,1H3,(H,22,23)/b20-10+