4-(1-oxidanyl-3-oxidanylidene-but-1-enyl)-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(1-oxidanyl-3-oxidanylidene-but-1-enyl)-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(1-hydroxy-3-oxo-but-1-enyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(1-hydroxy-3-oxobut-1-enyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(1-hydroxy-3-oxobut-1-enyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(1-hydroxy-3-keto-but-1-enyl)-2-phenyl-3-pyrazolin-3-one Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(C1=CNN(C1=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C=C(C1=CNN(C1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H12N2O3/c1-9(16)7-12(17)11-8-14-15(13(11)18)10-5-3-2-4-6-10/h2-8,14,17H,1H3