2-bromanyl-N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Openeye Name: 2-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide CAS Name: 2-bromo-N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide IUPAC Name: 2-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide Traditional Name: 2-bromo-N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC=CC=C4Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C4=CC=CC=C4Br)OCCO3

InChI

InChI=1S/C23H18BrNO4/c1-14-6-8-15(9-7-14)22(26)17-12-20-21(29-11-10-28-20)13-19(17)25-23(27)16-4-2-3-5-18(16)24/h2-9,12-13H,10-11H2,1H3,(H,25,27)