(E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)-2-buten-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-bromophenyl)but-2-en-1-one Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=C(C=C1)Br)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14BrNO3/c1-11(8-15(20)12-2-4-13(18)5-3-12)19-14-6-7-16-17(9-14)22-10-21-16/h2-9,19H,10H2,1H3/b11-8+