4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(Z)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(Z)-[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzoic acid Formula: C18H14IN3O4 MolecularWeight: 463.22593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)C(=O)O)O)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NC2=CC(=C(C=C2)C(=O)O)O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H14IN3O4/c1-10-15(9-20-12-4-7-14(18(25)26)16(23)8-12)17(24)22(21-10)13-5-2-11(19)3-6-13/h2-9,20,23H,1H3,(H,25,26)/b15-9-