7-nitro-5-[(1,3-thiazol-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 7-nitro-5-[(1,3-thiazol-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 7-nitro-5-[(thiazol-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 7-nitro-5-[(2-thiazolylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 7-nitro-5-[(1,3-thiazol-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 7-nitro-5-[(thiazol-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C12H9BrN5O4S- MolecularWeight: 399.19996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=N1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CSC(=N1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H9N5O4S.BrH/c18-10-11(19)16-9-6(5-14-12-13-1-2-22-12)3-7(17(20)21)4-8(9)15-10;/h1-4H,5H2,(H,13,14)(H,15,18)(H,16,19);1H/p-1