(4E)-4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (4E)-4-[[1-(4-tert-butylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-3-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(C)(C)C)NN=C3C=CC(=CC3=O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(C)(C)C)N/N=C/3\C=CC(=CC3=O)C(=O)O

InChI

InChI=1S/C21H22N4O4/c1-12-18(23-22-16-10-5-13(20(28)29)11-17(16)26)19(27)25(24-12)15-8-6-14(7-9-15)21(2,3)4/h5-11,23-24H,1-4H3,(H,28,29)/b22-16+