(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-propan-2-yl-prop-2-enamide

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-isopropyl-acrylamide Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC2=C(C=C1Br)OCO2)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC2=C(C=C1Br)OCO2)/C#N

InChI

InChI=1S/C14H13BrN2O3/c1-8(2)17-14(18)10(6-16)3-9-4-12-13(5-11(9)15)20-7-19-12/h3-5,8H,7H2,1-2H3,(H,17,18)/b10-3+