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

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]terephthalic acid Formula: C18H13NO7 MolecularWeight: 355.29832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO7/c20-16(6-2-10-1-5-14-15(7-10)26-9-25-14)19-13-8-11(17(21)22)3-4-12(13)18(23)24/h1-8H,9H2,(H,19,20)(H,21,22)(H,23,24)/b6-2+