5-methyl-4-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-2-phenylpyrazol-3-olate Traditional Name: 4-[(1R)-3-ketophthalan-1-yl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C18H13N2O3- MolecularWeight: 305.30742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C3=CC=CC=C3C(=O)O2)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1[C@H]2C3=CC=CC=C3C(=O)O2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H14N2O3/c1-11-15(16-13-9-5-6-10-14(13)18(22)23-16)17(21)20(19-11)12-7-3-2-4-8-12/h2-10,16,21H,1H3/p-1/t16-/m1/s1