(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid Formula: C11H6N2O6 MolecularWeight: 262.17514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N2O6/c12-4-7(11(14)15)1-6-2-9-10(19-5-18-9)3-8(6)13(16)17/h1-3H,5H2,(H,14,15)/b7-1+