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

Systemtic Name: 7-nitro-5-[(pyridin-4-ylmethylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 7-nitro-5-[(4-pyridylmethylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 7-nitro-5-[(pyridin-4-ylmethylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 7-nitro-5-[(pyridin-4-ylmethylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 7-nitro-5-[(4-pyridylmethylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C15H14BrN5O4 MolecularWeight: 408.20676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

Isomeric SMILES

C1=CN=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

InChI

InChI=1S/C15H13N5O4.BrH/c21-14-15(22)19-13-10(5-11(20(23)24)6-12(13)18-14)8-17-7-9-1-3-16-4-2-9;/h1-6,17H,7-8H2,(H,18,21)(H,19,22);1H