3-[4-[[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[1-(4-iodophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[1-(4-iodophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 3-[4-[[1-(4-iodophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H17IN6O4 MolecularWeight: 544.30195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C4=CC=C(C=C4)I

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)C4=CC=C(C=C4)I

InChI

InChI=1S/C21H17IN6O4/c1-11-17(19(29)27(25-11)15-8-6-14(22)7-9-15)23-24-18-12(2)26-28(20(18)30)16-5-3-4-13(10-16)21(31)32/h3-10,17-18H,1-2H3,(H,31,32)