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

Systemtic Name: 7-nitro-5-[[4-(phenylmethylidene)piperidin-1-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(4-benzylidene-1-piperidyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 7-nitro-5-[[4-(phenylmethylene)-1-piperidinyl]methyl]-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(4-benzylidenepiperidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(4-benzalpiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC2=CC=CC=C2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

Isomeric SMILES

C1CN(CCC1=CC2=CC=CC=C2)CC3=CC(=CC4=C3NC(=O)C(=O)N4)[N+](=O)[O-].Br

InChI

InChI=1S/C21H20N4O4.BrH/c26-20-21(27)23-19-16(11-17(25(28)29)12-18(19)22-20)13-24-8-6-15(7-9-24)10-14-4-2-1-3-5-14;/h1-5,10-12H,6-9,13H2,(H,22,26)(H,23,27);1H