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

Systemtic Name: 3-bromanyl-N-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide Openeye Name: 3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide CAS Name: 3-bromo-N-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide IUPAC Name: 3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide Traditional Name: 3-bromo-N-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-12-2-4-13(5-3-12)19(23)14-10-16-17(25-9-8-24-16)11-15(14)21-18(22)6-7-20/h2-5,10-11H,6-9H2,1H3,(H,21,22)