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

Systemtic Name: 5-(3-nitrophenyl)-2-octyl-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-octyl-pyrazol-3-one CAS Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-octyl-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-octylpyrazol-3-one Traditional Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-octyl-2-pyrazolin-3-one Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

CCCCCCCCN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C17H23N3O5/c1-2-3-4-5-6-7-11-19-16(21)17(22,23)15(18-19)13-9-8-10-14(12-13)20(24)25/h8-10,12,22-23H,2-7,11H2,1H3