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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO5/c18-12-3-1-2-10(8-12)4-7-15(20)19-14-9-11(16(21)22)5-6-13(14)17(23)24/h1-9H,(H,19,20)(H,21,22)(H,23,24)/b7-4+