(4-bromophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-bromophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-bromophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-bromobenzyl) ester Formula: C15H10BrNO6 MolecularWeight: 380.147

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H10BrNO6/c16-10-3-1-9(2-4-10)7-21-15(18)11-5-13-14(23-8-22-13)6-12(11)17(19)20/h1-6H,7-8H2