2-tert-butyl-5-(3-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-(3-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 2-tert-butyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one CAS Name: 2-tert-butyl-4,4-dihydroxy-5-(3-nitrophenyl)-3-pyrazolone IUPAC Name: 2-tert-butyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one Traditional Name: 2-tert-butyl-4,4-dihydroxy-5-(3-nitrophenyl)-2-pyrazolin-3-one Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C13H15N3O5/c1-12(2,3)15-11(17)13(18,19)10(14-15)8-5-4-6-9(7-8)16(20)21/h4-7,18-19H,1-3H3