(E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(bromomethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C11H7BrN2O4 MolecularWeight: 311.08828

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(CBr)C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(/CBr)\C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H7BrN2O4/c12-4-7(5-13)1-8-2-10-11(18-6-17-10)3-9(8)14(15)16/h1-3H,4,6H2/b7-1-