2-[3-bromanyl-5-chloranyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[3-bromanyl-5-chloranyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[3-bromo-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-cyanoanilino)acetate Formula: C17H13BrClN2O4- MolecularWeight: 424.65312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(C2=CC(=CC(=C2OCCO)Br)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(C2=CC(=CC(=C2OCCO)Br)Cl)C(=O)[O-]

InChI

InChI=1S/C17H14BrClN2O4/c18-14-8-11(19)7-13(16(14)25-6-5-22)15(17(23)24)21-12-3-1-10(9-20)2-4-12/h1-4,7-8,15,21-22H,5-6H2,(H,23,24)/p-1