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

Systemtic Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(2-bromophenyl)acryloyl]amino]terephthalic acid Formula: C17H12BrNO5 MolecularWeight: 390.18488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO5/c18-13-4-2-1-3-10(13)6-8-15(20)19-14-9-11(16(21)22)5-7-12(14)17(23)24/h1-9H,(H,19,20)(H,21,22)(H,23,24)/b8-6+