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

Systemtic Name: 5-[(2-azanyl-2H-1,3-benzothiazol-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(2-amino-2H-1,3-benzothiazol-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(2-amino-2H-1,3-benzothiazol-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(2-amino-2H-1,3-benzothiazol-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(2-amino-2H-1,3-benzothiazol-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C16H14BrN5O4S MolecularWeight: 452.28246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(S2)N)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(S2)N)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

InChI

InChI=1S/C16H13N5O4S.BrH/c17-16-20(11-3-1-2-4-12(11)26-16)7-8-5-9(21(24)25)6-10-13(8)19-15(23)14(22)18-10;/h1-6,16H,7,17H2,(H,18,22)(H,19,23);1H