3-[[3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C24H17BrN2O4 MolecularWeight: 477.30678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N)C(=O)O

InChI

InChI=1S/C24H17BrN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)