5-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-(1-azepanylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C15H19BrN4O4 MolecularWeight: 399.23976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

InChI

InChI=1S/C15H18N4O4.BrH/c20-14-15(21)17-13-10(9-18-5-3-1-2-4-6-18)7-11(19(22)23)8-12(13)16-14;/h7-8H,1-6,9H2,(H,16,20)(H,17,21);1H