(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(4-chlorobenzoyl)acrylonitrile Formula: C17H9BrClNO3 MolecularWeight: 390.61526

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H9BrClNO3/c18-14-7-16-15(22-9-23-16)6-11(14)5-12(8-20)17(21)10-1-3-13(19)4-2-10/h1-7H,9H2/b12-5+