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

Systemtic Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]terephthalic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO6/c1-9-2-4-11(23-9)5-7-14(18)17-13-8-10(15(19)20)3-6-12(13)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)/b7-5+