5-tert-butyl-4-nitro-1-oxidanidyl-2-oxidanyl-3-phenyl-pyrazol-1-ium

Systemtic Name: 5-tert-butyl-4-nitro-1-oxidanidyl-2-oxidanyl-3-phenyl-pyrazol-1-ium Openeye Name: 3-tert-butyl-1-hydroxy-4-nitro-2-oxido-5-phenyl-pyrazol-2-ium CAS Name: 3-tert-butyl-1-hydroxy-4-nitro-2-oxido-5-phenylpyrazol-2-ium IUPAC Name: 3-tert-butyl-1-hydroxy-4-nitro-2-oxido-5-phenylpyrazol-2-ium Traditional Name: 3-tert-butyl-1-hydroxy-4-nitro-2-oxido-5-phenyl-pyrazol-2-ium Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[N+](N(C(=C1[N+](=O)[O-])C2=CC=CC=C2)O)[O-]

Isomeric SMILES

CC(C)(C)C1=[N+](N(C(=C1[N+](=O)[O-])C2=CC=CC=C2)O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-13(2,3)12-11(16(19)20)10(14(17)15(12)18)9-7-5-4-6-8-9/h4-8,17H,1-3H3