4-bromanyl-N-[(E)-[1-methyl-5-(2-oxidanyl-2-phenyl-ethanoyl)pyrrol-2-yl]methylideneamino]benzamide

Systemtic Name: 4-bromanyl-N-[(E)-[1-methyl-5-(2-oxidanyl-2-phenyl-ethanoyl)pyrrol-2-yl]methylideneamino]benzamide Openeye Name: 4-bromo-N-[(E)-[5-(2-hydroxy-2-phenyl-acetyl)-1-methyl-pyrrol-2-yl]methyleneamino]benzamide CAS Name: 4-bromo-N-[(E)-[5-(2-hydroxy-1-oxo-2-phenylethyl)-1-methyl-2-pyrrolyl]methylideneamino]benzamide IUPAC Name: 4-bromo-N-[(E)-[5-(2-hydroxy-2-phenylacetyl)-1-methylpyrrol-2-yl]methylideneamino]benzamide Traditional Name: 4-bromo-N-[(E)-(5-mandeloyl-1-methyl-pyrrol-2-yl)methyleneamino]benzamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)C(C2=CC=CC=C2)O)C=NNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=CC=C1C(=O)C(C2=CC=CC=C2)O)/C=N/NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O3/c1-25-17(13-23-24-21(28)15-7-9-16(22)10-8-15)11-12-18(25)20(27)19(26)14-5-3-2-4-6-14/h2-13,19,26H,1H3,(H,24,28)/b23-13+