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

Systemtic Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-3-(3-bromophenyl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-(3-bromophenyl)-2-(2-furoylamino)acryloyl]amino]propionate Formula: C17H14BrN2O5- MolecularWeight: 406.20746

Click to see the large picture

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)/p-1/b13-10+