N-[4-[2-[3,4-bis(oxidanyl)phenyl]ethyl]phenyl]-5-bromanyl-2-oxidanyl-benzamide

Systemtic Name: N-[4-[2-[3,4-bis(oxidanyl)phenyl]ethyl]phenyl]-5-bromanyl-2-oxidanyl-benzamide Openeye Name: 5-bromo-N-[4-[2-(3,4-dihydroxyphenyl)ethyl]phenyl]-2-hydroxy-benzamide CAS Name: 5-bromo-N-[4-[2-(3,4-dihydroxyphenyl)ethyl]phenyl]-2-hydroxybenzamide IUPAC Name: 5-bromo-N-[4-[2-(3,4-dihydroxyphenyl)ethyl]phenyl]-2-hydroxybenzamide Traditional Name: 5-bromo-N-[4-[2-(3,4-dihydroxyphenyl)ethyl]phenyl]-2-hydroxy-benzamide Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC(=C(C=C2)O)O)NC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC(=C(C=C2)O)O)NC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C21H18BrNO4/c22-15-6-10-18(24)17(12-15)21(27)23-16-7-3-13(4-8-16)1-2-14-5-9-19(25)20(26)11-14/h3-12,24-26H,1-2H2,(H,23,27)