6-[(5E)-5-[[1-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-3-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[(5E)-5-[[1-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-3-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[(5E)-5-[[1-(4-tert-butylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazono]-3-methyl-6-oxo-cyclohexa-1,3-dien-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[(5E)-5-[[1-(4-tert-butylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-3-methyl-6-oxo-1-cyclohexa-1,3-dienyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[(5E)-5-[[1-(4-tert-butylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-3-methyl-6-oxocyclohexa-1,3-dien-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[(5E)-5-[[1-(4-tert-butylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]hydrazono]-6-keto-3-methyl-cyclohexa-1,3-dien-1-yl]picolinic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2C(=NN(C2=O)C3=CC=C(C=C3)C(C)(C)C)C)C(=O)C(=C1)C4=NC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C/C(=N\NC2C(=NN(C2=O)C3=CC=C(C=C3)C(C)(C)C)C)/C(=O)C(=C1)C4=NC(=CC=C4)C(=O)O

InChI

InChI=1S/C27H27N5O4/c1-15-13-19(20-7-6-8-21(28-20)26(35)36)24(33)22(14-15)29-30-23-16(2)31-32(25(23)34)18-11-9-17(10-12-18)27(3,4)5/h6-14,23,30H,1-5H3,(H,35,36)/b29-22+