2-[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(benzofuran-2-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(2-benzofuranyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(benzofuran-2-yl)acryloyl]amino]terephthalic acid Formula: C19H13NO6 MolecularWeight: 351.30962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13NO6/c21-17(8-6-13-9-11-3-1-2-4-16(11)26-13)20-15-10-12(18(22)23)5-7-14(15)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25)/b8-6+