4-ethanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one hydrate

Systemtic Name: 4-ethanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one hydrate Openeye Name: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one hydrate CAS Name: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one hydrate IUPAC Name: 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one hydrate Traditional Name: 4-acetyl-5-methyl-2-phenyl-2-pyrazolin-3-one hydrate Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)C)C2=CC=CC=C2.O

Isomeric SMILES

CC1=NN(C(=O)C1C(=O)C)C2=CC=CC=C2.O

InChI

InChI=1S/C12H12N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,11H,1-2H3;1H2