N-[3-[4-(2-azanyl-1-oxidanyl-ethyl)-2,6-bis(bromanyl)phenoxy]propyl]-1-cyano-methanamide

Systemtic Name: N-[3-[4-(2-azanyl-1-oxidanyl-ethyl)-2,6-bis(bromanyl)phenoxy]propyl]-1-cyano-methanamide Openeye Name: N-[3-[4-(2-amino-1-hydroxy-ethyl)-2,6-dibromo-phenoxy]propyl]-1-cyano-formamide CAS Name: N-[3-[4-(2-amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-1-cyanoformamide IUPAC Name: N-[3-[4-(2-amino-1-hydroxyethyl)-2,6-dibromophenoxy]propyl]-1-cyanoformamide Traditional Name: N-[3-[4-(2-amino-1-hydroxy-ethyl)-2,6-dibromo-phenoxy]propyl]-1-cyano-formamide Formula: C13H15Br2N3O3 MolecularWeight: 421.0845

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)C(CN)O

Isomeric SMILES

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)C(CN)O

InChI

InChI=1S/C13H15Br2N3O3/c14-9-4-8(11(19)6-16)5-10(15)13(9)21-3-1-2-18-12(20)7-17/h4-5,11,19H,1-3,6,16H2,(H,18,20)