5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[[4-(4-methoxyphenyl)piperazino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C20H22BrN5O5 MolecularWeight: 492.32318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

InChI

InChI=1S/C20H21N5O5.BrH/c1-30-16-4-2-14(3-5-16)24-8-6-23(7-9-24)12-13-10-15(25(28)29)11-17-18(13)22-20(27)19(26)21-17;/h2-5,10-11H,6-9,12H2,1H3,(H,21,26)(H,22,27);1H