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

Systemtic Name: [2,6-bis(bromanyl)-4-carbamimidoyl-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: (2,6-dibromo-4-carbamimidoyl-phenyl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (2,6-dibromo-4-carbamimidoylphenyl) ester IUPAC Name: (2,6-dibromo-4-carbamimidoylphenyl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-amidino-2,6-dibromo-phenyl) ester Formula: C15H10Br2N2O4 MolecularWeight: 442.0589

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C(=N)N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3Br)C(=N)N)Br

InChI

InChI=1S/C15H10Br2N2O4/c16-9-3-8(14(18)19)4-10(17)13(9)23-15(20)7-1-2-11-12(5-7)22-6-21-11/h1-5H,6H2,(H3,18,19)