5-bromanyl-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylideneamino]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methyleneamino]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(E)-[4-(2-hydroxyethylthio)-3-nitrophenyl]methylideneamino]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(E)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[(E)-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]amino]benzamide Formula: C16H14BrN3O5S MolecularWeight: 440.26846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-])SCCO

Isomeric SMILES

C1=CC(=C(C=C1/C=N/NC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-])SCCO

InChI

InChI=1S/C16H14BrN3O5S/c17-11-2-3-14(22)12(8-11)16(23)19-18-9-10-1-4-15(26-6-5-21)13(7-10)20(24)25/h1-4,7-9,21-22H,5-6H2,(H,19,23)/b18-9+