1-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-4-methyl-4-nitroso-pentane-2,3-dione

Systemtic Name: 1-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-4-methyl-4-nitroso-pentane-2,3-dione Openeye Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-4-methyl-4-nitroso-pentane-2,3-dione CAS Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-4-methyl-4-nitrosopentane-2,3-dione IUPAC Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-4-methyl-4-nitrosopentane-2,3-dione Traditional Name: 1-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]-4-methyl-4-nitroso-pentane-2,3-dione Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=O)CNCC(C1=CC(=C(C=C1)O)CO)O)N=O

Isomeric SMILES

CC(C)(C(=O)C(=O)CNCC(C1=CC(=C(C=C1)O)CO)O)N=O

InChI

InChI=1S/C15H20N2O6/c1-15(2,17-23)14(22)13(21)7-16-6-12(20)9-3-4-11(19)10(5-9)8-18/h3-5,12,16,18-20H,6-8H2,1-2H3