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

Systemtic Name: 1-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-3-methyl-3-nitroso-hexane-2,4-dione Openeye Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-3-methyl-3-nitroso-hexane-2,4-dione CAS Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-3-methyl-3-nitrosohexane-2,4-dione IUPAC Name: 1-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-3-methyl-3-nitrosohexane-2,4-dione Traditional Name: 1-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]-3-methyl-3-nitroso-hexane-2,4-dione Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-3-14(22)16(2,18-24)15(23)8-17-7-13(21)10-4-5-12(20)11(6-10)9-19/h4-6,13,17,19-21H,3,7-9H2,1-2H3