[2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl] ethanoate

Systemtic Name: [2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl] ethanoate Openeye Name: [2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)allyl] acetate CAS Name: acetic acid [2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl] ester IUPAC Name: [2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enyl] acetate Traditional Name: acetic acid [2-cyano-1-(6-nitro-1,3-benzodioxol-5-yl)allyl] ester Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=C)C#N

Isomeric SMILES

CC(=O)OC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=C)C#N

InChI

InChI=1S/C13H10N2O6/c1-7(5-14)13(21-8(2)16)9-3-11-12(20-6-19-11)4-10(9)15(17)18/h3-4,13H,1,6H2,2H3