(3-bromophenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (3-bromophenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (3-bromophenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (3-bromobenzyl) ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrNO6/c17-11-3-1-2-10(6-11)9-24-16(19)12-7-14-15(23-5-4-22-14)8-13(12)18(20)21/h1-3,6-8H,4-5,9H2