2-[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]oxyethyl-diethyl-azanium

Systemtic Name: 2-[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]oxyethyl-diethyl-azanium Openeye Name: 2-[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-prop-2-enoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[(E)-3-[5-(2-bromophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enoxy]ethyl-diethylammonium IUPAC Name: 2-[(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]oxyethyl-diethylazanium Traditional Name: 2-[(E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-acryloyl]oxyethyl-diethyl-ammonium Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2Br)C#N

Isomeric SMILES

CC[NH+](CC)CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2Br)/C#N

InChI

InChI=1S/C20H21BrN2O3/c1-3-23(4-2)11-12-25-20(24)15(14-22)13-16-9-10-19(26-16)17-7-5-6-8-18(17)21/h5-10,13H,3-4,11-12H2,1-2H3/p+1/b15-13+