6-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-(1-azepanylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-(azepan-1-ylmethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C15H18BrN4O4- MolecularWeight: 398.23182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

Isomeric SMILES

C1CCCN(CC1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.[Br-]

InChI

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