3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-hydroxy-phenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide CAS Name: 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-hydroxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-hydroxy-phenyl)-2-cyano-N-[(1S)-1-phenylethyl]acrylamide Formula: C18H15BrN2O2 MolecularWeight: 371.2279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

InChI

InChI=1S/C18H15BrN2O2/c1-12(13-5-3-2-4-6-13)21-18(23)15(11-20)9-14-10-16(19)7-8-17(14)22/h2-10,12,22H,1H3,(H,21,23)/t12-/m0/s1