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

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)-4-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]-2-phenyl-pyrazol-3-olate Openeye Name: 5-(2-methoxy-2-oxo-ethyl)-4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-2-phenyl-pyrazol-3-olate CAS Name: 5-(2-methoxy-2-oxoethyl)-4-[(1R)-3-oxo-1H-isobenzofuran-1-yl]-2-phenyl-3-pyrazololate IUPAC Name: 5-(2-methoxy-2-oxoethyl)-4-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-2-phenylpyrazol-3-olate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-4-[(1R)-3-ketophthalan-1-yl]-2-phenyl-pyrazol-3-olate Formula: C20H15N2O5- MolecularWeight: 363.3435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5/c1-26-16(23)11-15-17(18-13-9-5-6-10-14(13)20(25)27-18)19(24)22(21-15)12-7-3-2-4-8-12/h2-10,18,24H,11H2,1H3/p-1/t18-/m1/s1