4-[3-di(propan-2-yloxy)phosphoryl-4-ethanoyl-5-methyl-pyrazol-1-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[3-di(propan-2-yloxy)phosphoryl-4-ethanoyl-5-methyl-pyrazol-1-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-(4-acetyl-3-diisopropoxyphosphoryl-5-methyl-pyrazol-1-yl)-N-hydroxy-benzeneamine oxide CAS Name: 4-[4-acetyl-3-di(propan-2-yloxy)phosphoryl-5-methyl-1-pyrazolyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[4-acetyl-3-di(propan-2-yloxy)phosphoryl-5-methylpyrazol-1-yl]-N-hydroxybenzeneamine oxide Traditional Name: 4-(4-acetyl-3-diisopropoxyphosphoryl-5-methyl-pyrazol-1-yl)-N-hydroxy-benzeneamine oxide Formula: C18H26N3O6P MolecularWeight: 411.389301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[NH+](O)[O-])P(=O)(OC(C)C)OC(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[NH+](O)[O-])P(=O)(OC(C)C)OC(C)C)C(=O)C

InChI

InChI=1S/C18H26N3O6P/c1-11(2)26-28(25,27-12(3)4)18-17(14(6)22)13(5)20(19-18)15-7-9-16(10-8-15)21(23)24/h7-12,21,23H,1-6H3