4-[[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]methyl]benzoic acid Formula: C15H12BrNO4 MolecularWeight: 350.16408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C15H12BrNO4/c16-13-7-5-12(21-13)6-8-14(18)17-9-10-1-3-11(4-2-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)/b8-6+