2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-coumaran-5-ylacryloyl]amino]terephthalic acid Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15NO6/c21-17(6-2-11-1-5-16-12(9-11)7-8-26-16)20-15-10-13(18(22)23)3-4-14(15)19(24)25/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)(H,24,25)/b6-2+