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

Systemtic Name: 6-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-(diethylaminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C13H16BrN4O4- MolecularWeight: 372.19454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2.[Br-]

Isomeric SMILES

CCN(CC)CC1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2.[Br-]

InChI

InChI=1S/C13H16N4O4.BrH/c1-3-16(4-2)7-8-5-9-10(6-11(8)17(20)21)15-13(19)12(18)14-9;/h5-6H,3-4,7H2,1-2H3,(H,14,18)(H,15,19);1H/p-1