[2,4-bis(bromanyl)-6-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2,4-bis(bromanyl)-6-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester IUPAC Name: [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2,4-dibromo-6-(2-nitroprop-1-enyl)phenyl] ester Formula: C17H11Br2NO6 MolecularWeight: 485.08034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC(=C1OC(=O)C2=CC3=C(C=C2)OCO3)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=CC1=CC(=CC(=C1OC(=O)C2=CC3=C(C=C2)OCO3)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H11Br2NO6/c1-9(20(22)23)4-11-5-12(18)7-13(19)16(11)26-17(21)10-2-3-14-15(6-10)25-8-24-14/h2-7H,8H2,1H3