(2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromanyl-2-chloranyl-phenyl)propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromanyl-2-chloranyl-phenyl)propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chloro-phenyl)propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chlorophenyl)propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chlorophenyl)propanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(4-bromo-2-chloro-phenyl)propionamide Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)Cl)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)Cl)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13BrClNO4/c1-9(16(20)19-13-4-2-10(17)6-12(13)18)23-11-3-5-14-15(7-11)22-8-21-14/h2-7,9H,8H2,1H3,(H,19,20)/t9-/m0/s1