2-[[(E)-3-(5-iodanylfuran-2-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(5-iodanylfuran-2-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-iodo-2-furyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(5-iodo-2-furanyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-iodo-2-furyl)acryloyl]amino]terephthalic acid Formula: C15H10INO6 MolecularWeight: 427.14747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C=CC2=CC=C(O2)I)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)/C=C/C2=CC=C(O2)I)C(=O)O

InChI

InChI=1S/C15H10INO6/c16-12-5-2-9(23-12)3-6-13(18)17-11-7-8(14(19)20)1-4-10(11)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)/b6-3+