[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)CCOC2=CC(=CC=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)CCOC2=CC(=CC=C2)Br)C#N

InChI

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