1-(3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione

Systemtic Name: 1-(3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione Openeye Name: 1-(3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione CAS Name: 1-(3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione IUPAC Name: 1-(3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione Traditional Name: 1-(5-keto-1-phenyl-3-pyrazolin-4-yl)butane-1,3-dione Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c1-9(16)7-12(17)11-8-14-15(13(11)18)10-5-3-2-4-6-10/h2-6,8,14H,7H2,1H3