(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]acrylamide Formula: C18H19BrN2O3 MolecularWeight: 391.25906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H19BrN2O3/c1-11-4-2-3-5-15(11)21-18(22)13(9-20)6-12-7-16-17(8-14(12)19)24-10-23-16/h6-8,11,15H,2-5,10H2,1H3,(H,21,22)/b13-6+/t11-,15+/m0/s1