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

Systemtic Name: 4-[[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(4-bromophenyl)acryloyl]amino]methyl]benzoic acid Formula: C17H14BrNO3 MolecularWeight: 360.20196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H14BrNO3/c18-15-8-3-12(4-9-15)5-10-16(20)19-11-13-1-6-14(7-2-13)17(21)22/h1-10H,11H2,(H,19,20)(H,21,22)/b10-5+