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

Systemtic Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C16H10N2O6S MolecularWeight: 358.3254

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O6S/c17-9-13(25(21,22)12-4-2-1-3-5-12)6-11-7-15-16(24-10-23-15)8-14(11)18(19)20/h1-8H,10H2/b13-6+