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

Systemtic Name: 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(3-bromophenyl)acryloyl]amino]benzoic acid Formula: C16H12BrNO3 MolecularWeight: 346.17538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO3/c17-13-3-1-2-11(10-13)4-9-15(19)18-14-7-5-12(6-8-14)16(20)21/h1-10H,(H,18,19)(H,20,21)/b9-4+