N-[3-[(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]ethanamide

Systemtic Name: N-[3-[(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]ethanamide Openeye Name: N-[3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]acetamide CAS Name: N-[3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenyl]acetamide IUPAC Name: N-[3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]acetamide Traditional Name: N-[3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)acryloyl]phenyl]acetamide Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)C=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)/C=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H14BrNO4/c1-11(21)20-14-4-2-3-13(7-14)16(22)6-5-12-8-17-18(9-15(12)19)24-10-23-17/h2-9H,10H2,1H3,(H,20,21)/b6-5+