N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-bromanyl-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-bromanyl-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)vinyl]-4-bromo-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(butylamino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(butylcarbamoyl)vinyl]-4-bromo-benzamide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-2-3-10-23-21(26)17(24-20(25)15-5-7-16(22)8-6-15)11-14-4-9-18-19(12-14)28-13-27-18/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,26)(H,24,25)/b17-11+