2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]amino]terephthalic acid Formula: C19H15NO7 MolecularWeight: 369.3249

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15NO7/c21-17(6-2-11-1-5-15-16(9-11)27-8-7-26-15)20-14-10-12(18(22)23)3-4-13(14)19(24)25/h1-6,9-10H,7-8H2,(H,20,21)(H,22,23)(H,24,25)/b6-2+