3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enamide CAS Name: 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acrylamide Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

InChI

InChI=1S/C17H13BrN2O2/c18-15-6-7-16(21)13(9-15)8-14(10-19)17(22)20-11-12-4-2-1-3-5-12/h1-9,21H,11H2,(H,20,22)