N-(4-bromanyl-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloranylprop-2-enyl]-methyl-boronamidic acid

Systemtic Name: N-(4-bromanyl-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloranylprop-2-enyl]-methyl-boronamidic acid Openeye Name: N-(4-bromo-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloroallyl]-methyl-boronamidic acid CAS Name: N-(4-bromo-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloroprop-2-enyl]-methylboronamidic acid IUPAC Name: N-(4-bromo-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloroprop-2-enyl]-methylboronamidic acid Traditional Name: N-(4-bromo-7-methyl-1H-indol-5-yl)-N-[(E)-3-chloroallyl]-methyl-boronamidic acid Formula: C13H15BBrClN2O MolecularWeight: 341.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC=CCl)C1=C(C2=C(C(=C1)C)NC=C2)Br)O

Isomeric SMILES

B(C)(N(C/C=C/Cl)C1=C(C2=C(C(=C1)C)NC=C2)Br)O

InChI

InChI=1S/C13H15BBrClN2O/c1-9-8-11(18(14(2)19)7-3-5-16)12(15)10-4-6-17-13(9)10/h3-6,8,17,19H,7H2,1-2H3/b5-3+