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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CCCNC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)CCCNC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c19-14-4-6-15(7-5-14)20-9-1-2-18(23)22-21-11-13-3-8-16-17(10-13)25-12-24-16/h3-8,10-11,20H,1-2,9,12H2,(H,22,23)/b21-11+