2-(3-bromanylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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