2-[5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 2-[5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 2-[5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(Z)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoate Formula: C22H14IN2O4- MolecularWeight: 497.26203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3C(=O)[O-])C4=CC=C(C=C4)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=CC=C3C(=O)[O-])C4=CC=C(C=C4)I

InChI

InChI=1S/C22H15IN2O4/c1-13-19(21(26)25(24-13)15-8-6-14(23)7-9-15)12-16-10-11-20(29-16)17-4-2-3-5-18(17)22(27)28/h2-12H,1H3,(H,27,28)/p-1/b19-12-