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

Systemtic Name: 4-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]butyric acid Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)Br)C=CC(=O)NCCCC(=O)O

Isomeric SMILES

C1=C(OC(=C1)Br)/C=C/C(=O)NCCCC(=O)O

InChI

InChI=1S/C11H12BrNO4/c12-9-5-3-8(17-9)4-6-10(14)13-7-1-2-11(15)16/h3-6H,1-2,7H2,(H,13,14)(H,15,16)/b6-4+