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

Systemtic Name: 7-nitro-5-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(3-hydroxypyrrolidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(3-hydroxy-1-pyrrolidinyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(3-hydroxypyrrolidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(3-hydroxypyrrolidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C13H15BrN4O5 MolecularWeight: 387.186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

Isomeric SMILES

C1CN(CC1O)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

InChI

InChI=1S/C13H14N4O5.BrH/c18-9-1-2-16(6-9)5-7-3-8(17(21)22)4-10-11(7)15-13(20)12(19)14-10;/h3-4,9,18H,1-2,5-6H2,(H,14,19)(H,15,20);1H