(E)-3-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-2-cyano-N-propan-2-yl-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-2-cyano-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-(3-bromo-5-chloro-4-hydroxy-phenyl)-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-cyano-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-(3-bromo-5-chloro-4-hydroxy-phenyl)-2-cyano-N-isopropyl-acrylamide Formula: C13H12BrClN2O2 MolecularWeight: 343.60358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)Br)O)Cl)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=C(C(=C1)Br)O)Cl)/C#N

InChI

InChI=1S/C13H12BrClN2O2/c1-7(2)17-13(19)9(6-16)3-8-4-10(14)12(18)11(15)5-8/h3-5,7,18H,1-2H3,(H,17,19)/b9-3+