[(E)-5-(6-bromanyl-1,3-benzodioxol-5-yl)-4-nitro-pent-4-enyl] ethanoate

Systemtic Name: [(E)-5-(6-bromanyl-1,3-benzodioxol-5-yl)-4-nitro-pent-4-enyl] ethanoate Openeye Name: [(E)-5-(6-bromo-1,3-benzodioxol-5-yl)-4-nitro-pent-4-enyl] acetate CAS Name: acetic acid [(E)-5-(6-bromo-1,3-benzodioxol-5-yl)-4-nitropent-4-enyl] ester IUPAC Name: [(E)-5-(6-bromo-1,3-benzodioxol-5-yl)-4-nitropent-4-enyl] acetate Traditional Name: acetic acid [(E)-5-(6-bromo-1,3-benzodioxol-5-yl)-4-nitro-pent-4-enyl] ester Formula: C14H14BrNO6 MolecularWeight: 372.16806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC(=CC1=CC2=C(C=C1Br)OCO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCC/C(=C\C1=CC2=C(C=C1Br)OCO2)/[N+](=O)[O-]

InChI

InChI=1S/C14H14BrNO6/c1-9(17)20-4-2-3-11(16(18)19)5-10-6-13-14(7-12(10)15)22-8-21-13/h5-7H,2-4,8H2,1H3/b11-5+