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

Systemtic Name: 4-[[3-[4-[(4-iodophenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-[[3-[4-(4-iodophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-[[3-[4-(4-iodophenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-[[3-[4-[(4-iodophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-[[3-[4-(4-iodophenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]-3-keto-propanoyl]amino]benzoic acid Formula: C20H16IN5O5 MolecularWeight: 533.27601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)I)C(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)I)C(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16IN5O5/c1-11-18(24-23-15-8-4-13(21)5-9-15)19(29)26(25-11)17(28)10-16(27)22-14-6-2-12(3-7-14)20(30)31/h2-9,18H,10H2,1H3,(H,22,27)(H,30,31)