4-[[(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[3-(4-bromobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoate Formula: C24H16BrN2O4- MolecularWeight: 476.29884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C24H17BrN2O4/c25-20-8-4-16(5-9-20)15-31-22-3-1-2-17(13-22)12-19(14-26)23(28)27-21-10-6-18(7-11-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/p-1/b19-12+