2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]amino]terephthalic acid Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H17NO8/c1-27-15-8-11(9-16-18(15)29-7-6-28-16)2-5-17(22)21-14-10-12(19(23)24)3-4-13(14)20(25)26/h2-5,8-10H,6-7H2,1H3,(H,21,22)(H,23,24)(H,25,26)/b5-2+