3-[[(E)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-3-(3-bromophenyl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-furoylamino)acryloyl]amino]propionic acid Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C(=O)NCCC(=O)O)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C(\C(=O)NCCC(=O)O)/NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H15BrN2O5/c18-12-4-1-3-11(9-12)10-13(16(23)19-7-6-15(21)22)20-17(24)14-5-2-8-25-14/h1-5,8-10H,6-7H2,(H,19,23)(H,20,24)(H,21,22)/b13-10+