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

Systemtic Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(3,5-dimethyl-1-pyrazolyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C14H14BrN5O4 MolecularWeight: 396.19606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C.Br

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C.Br

InChI

InChI=1S/C14H13N5O4.BrH/c1-7-3-8(2)18(17-7)6-9-4-10(19(22)23)5-11-12(9)16-14(21)13(20)15-11;/h3-5H,6H2,1-2H3,(H,15,20)(H,16,21);1H