(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]acrylamide Formula: C19H15BrN2O3 MolecularWeight: 399.238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)Br)OCO3)/C#N

InChI

InChI=1S/C19H15BrN2O3/c1-12(14-5-3-2-4-6-14)22-19(23)15(10-21)7-13-8-16(20)18-17(9-13)24-11-25-18/h2-9,12H,11H2,1H3,(H,22,23)/b15-7+/t12-/m1/s1