(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methyl-3-furoyl)acrylonitrile Formula: C16H10BrNO4 MolecularWeight: 360.1589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC3=C(C(=C2)Br)OCO3)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC3=C(C(=C2)Br)OCO3)/C#N

InChI

InChI=1S/C16H10BrNO4/c1-9-12(2-3-20-9)15(19)11(7-18)4-10-5-13(17)16-14(6-10)21-8-22-16/h2-6H,8H2,1H3/b11-4+