6-nitro-7-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-nitro-7-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-nitro-7-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-nitro-7-(1-piperazinylmethyl)-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-nitro-7-(piperazin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-nitro-7-(piperazinomethyl)-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C13H15BrN5O4- MolecularWeight: 385.1933

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

Isomeric SMILES

C1CN(CCN1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

InChI

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