2,5-dimethyl-4-(3-oxidanylidene-1H-2-benzofuran-1-yl)-4H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-(3-oxidanylidene-1H-2-benzofuran-1-yl)-4H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(3-oxo-1H-isobenzofuran-1-yl)-4H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-(3-oxo-1H-isobenzofuran-1-yl)-4H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(3-oxo-1H-2-benzofuran-1-yl)-4H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-phthalidyl-2-pyrazolin-3-one Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2C3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=NN(C(=O)C1C2C3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C13H12N2O3/c1-7-10(12(16)15(2)14-7)11-8-5-3-4-6-9(8)13(17)18-11/h3-6,10-11H,1-2H3