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

Systemtic Name: 7-nitro-5-[(pyridin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 7-nitro-5-[(2-pyridylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 7-nitro-5-[(2-pyridinylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 7-nitro-5-[(pyridin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 7-nitro-5-[(2-pyridylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C14H11BrN5O4- MolecularWeight: 393.17224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O4.BrH/c20-13-14(21)18-12-8(7-16-11-3-1-2-4-15-11)5-9(19(22)23)6-10(12)17-13;/h1-6H,7H2,(H,15,16)(H,17,20)(H,18,21);1H/p-1