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

Systemtic Name: [(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-prop-2-enyl] ethanoate Openeye Name: [(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-allyl] acetate CAS Name: acetic acid [(E)-3-(1,3-benzodioxol-5-yl)-2-nitroprop-2-enyl] ester IUPAC Name: [(E)-3-(1,3-benzodioxol-5-yl)-2-nitroprop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-allyl] ester Formula: C12H11NO6 MolecularWeight: 265.21884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO6/c1-8(14)17-6-10(13(15)16)4-9-2-3-11-12(5-9)19-7-18-11/h2-5H,6-7H2,1H3/b10-4+