2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]amino]terephthalic acid Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H12ClNO5/c18-12-5-1-10(2-6-12)3-8-15(20)19-14-9-11(16(21)22)4-7-13(14)17(23)24/h1-9H,(H,19,20)(H,21,22)(H,23,24)/b8-3+