5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C17H15ClN2O4 MolecularWeight: 346.765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)OC(OC2=O)(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)OC(OC2=O)(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN2O4/c1-10-12(9-13-15(21)23-17(2,3)24-16(13)22)14(18)20(19-10)11-7-5-4-6-8-11/h4-9H,1-3H3