7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 7-nitro-5-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C11H9BrN6O4 MolecularWeight: 369.13096

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=NC=N3)[N+](=O)[O-].Br

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=NC=N3)[N+](=O)[O-].Br

InChI

InChI=1S/C11H8N6O4.BrH/c18-10-11(19)15-9-6(3-16-5-12-4-13-16)1-7(17(20)21)2-8(9)14-10;/h1-2,4-5H,3H2,(H,14,18)(H,15,19);1H