2-[5-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-[5-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H15IN2O4 MolecularWeight: 498.26997

Click to see the large picture

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)/b19-12+