4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[5-(2-bromophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C21H13BrN2O4 MolecularWeight: 437.24292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C21H13BrN2O4/c22-18-4-2-1-3-17(18)19-10-9-16(28-19)11-14(12-23)20(25)24-15-7-5-13(6-8-15)21(26)27/h1-11H,(H,24,25)(H,26,27)/b14-11+