2-methyl-5-[3-nitro-4,5-bis(oxidanyl)phenyl]-1H-pyrazol-3-one hydrobromide

Systemtic Name: 2-methyl-5-[3-nitro-4,5-bis(oxidanyl)phenyl]-1H-pyrazol-3-one hydrobromide Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-2-methyl-1H-pyrazol-3-one hydrobromide CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)-2-methyl-1H-pyrazol-3-one hydrobromide IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)-2-methyl-1H-pyrazol-3-one hydrobromide Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-2-methyl-3-pyrazolin-3-one hydrobromide Formula: C10H10BrN3O5 MolecularWeight: 332.1075

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br

Isomeric SMILES

CN1C(=O)C=C(N1)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br

InChI

InChI=1S/C10H9N3O5.BrH/c1-12-9(15)4-6(11-12)5-2-7(13(17)18)10(16)8(14)3-5;/h2-4,11,14,16H,1H3;1H