ethyl (E)-3-[4-[(7-bromanyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(7-bromanyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(7-bromobenzofuran-2-carbonyl)amino]phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[[(7-bromo-2-benzofuranyl)-oxomethyl]amino]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(7-bromo-1-benzofuran-2-carbonyl)amino]phenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[(7-bromobenzofuran-2-carbonyl)amino]phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H15BrN2O4 MolecularWeight: 439.2588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)/C#N

InChI

InChI=1S/C21H15BrN2O4/c1-2-27-21(26)15(12-23)10-13-6-8-16(9-7-13)24-20(25)18-11-14-4-3-5-17(22)19(14)28-18/h3-11H,2H2,1H3,(H,24,25)/b15-10+