N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenethylcarbamoyl)vinyl]-3-bromo-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenethylcarbamoyl)vinyl]-3-bromo-benzamide Formula: C25H21BrN2O4 MolecularWeight: 493.34924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCC3=CC=CC=C3)/NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H21BrN2O4/c26-20-8-4-7-19(15-20)24(29)28-21(13-18-9-10-22-23(14-18)32-16-31-22)25(30)27-12-11-17-5-2-1-3-6-17/h1-10,13-15H,11-12,16H2,(H,27,30)(H,28,29)/b21-13+