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

Systemtic Name: 5-[[(3-fluorophenyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 5-[(3-fluoroanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 5-[(3-fluoroanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 5-[(3-fluoroanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 5-[(3-fluoroanilino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C15H11BrFN4O4- MolecularWeight: 410.174643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11FN4O4.BrH/c16-9-2-1-3-10(5-9)17-7-8-4-11(20(23)24)6-12-13(8)19-15(22)14(21)18-12;/h1-6,17H,7H2,(H,18,21)(H,19,22);1H/p-1