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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN(CC)C(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN2O4/c1-3-24(4-2)21(26)17(23-20(25)15-7-5-6-8-16(15)22)11-14-9-10-18-19(12-14)28-13-27-18/h5-12H,3-4,13H2,1-2H3,(H,23,25)/b17-11+