[3-(bromomethyl)-6,7-dimethoxy-quinoxalin-2-yl]methylphosphonic acid

Systemtic Name: [3-(bromomethyl)-6,7-dimethoxy-quinoxalin-2-yl]methylphosphonic acid Openeye Name: [3-(bromomethyl)-6,7-dimethoxy-quinoxalin-2-yl]methylphosphonic acid CAS Name: [3-(bromomethyl)-6,7-dimethoxy-2-quinoxalinyl]methylphosphonic acid IUPAC Name: [3-(bromomethyl)-6,7-dimethoxyquinoxalin-2-yl]methylphosphonic acid Traditional Name: [3-(bromomethyl)-6,7-dimethoxy-quinoxalin-2-yl]methylphosphonic acid Formula: C12H14BrN2O5P MolecularWeight: 377.127721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(C(=N2)CBr)CP(=O)(O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(C(=N2)CBr)CP(=O)(O)O)OC

InChI

InChI=1S/C12H14BrN2O5P/c1-19-11-3-7-8(4-12(11)20-2)15-10(6-21(16,17)18)9(5-13)14-7/h3-4H,5-6H2,1-2H3,(H2,16,17,18)