2-(4-bromanylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCOC2=CC=C(C=C2)Br)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCOC2=CC=C(C=C2)Br)NC(=O)CC#N

InChI

InChI=1S/C18H15BrN2O4/c19-14-3-7-16(8-4-14)24-11-12-25-18(23)13-1-5-15(6-2-13)21-17(22)9-10-20/h1-8H,9,11-12H2,(H,21,22)