5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 7-nitro-5-[(piperonylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C17H15BrN4O6 MolecularWeight: 451.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

InChI

InChI=1S/C17H14N4O6.BrH/c22-16-17(23)20-15-10(4-11(21(24)25)5-12(15)19-16)7-18-6-9-1-2-13-14(3-9)27-8-26-13;/h1-5,18H,6-8H2,(H,19,22)(H,20,23);1H