5-methyl-4,4-bis(oxidanyl)-2-(2-phenoxyethyl)pyrazol-3-one

Systemtic Name: 5-methyl-4,4-bis(oxidanyl)-2-(2-phenoxyethyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-5-methyl-2-(2-phenoxyethyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-5-methyl-2-(2-phenoxyethyl)-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-methyl-2-(2-phenoxyethyl)pyrazol-3-one Traditional Name: 4,4-dihydroxy-5-methyl-2-(2-phenoxyethyl)-2-pyrazolin-3-one Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(O)O)CCOC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1(O)O)CCOC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O4/c1-9-12(16,17)11(15)14(13-9)7-8-18-10-5-3-2-4-6-10/h2-6,16-17H,7-8H2,1H3