7-nitro-5-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione dihydrobromide

Systemtic Name: 7-nitro-5-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Openeye Name: 7-nitro-5-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione dihydrobromide CAS Name: 7-nitro-5-(1-piperazinylmethyl)-1,4-dihydroquinoxaline-2,3-dione dihydrobromide IUPAC Name: 7-nitro-5-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Traditional Name: 7-nitro-5-(piperazinomethyl)-1,4-dihydroquinoxaline-2,3-quinone dihydrobromide Formula: C13H17Br2N5O4 MolecularWeight: 467.11318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

Isomeric SMILES

C1CN(CCN1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

InChI

InChI=1S/C13H15N5O4.2BrH/c19-12-13(20)16-11-8(7-17-3-1-14-2-4-17)5-9(18(21)22)6-10(11)15-12;;/h5-6,14H,1-4,7H2,(H,15,19)(H,16,20);2*1H