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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=C(N2)C)NN=C3C=CC=C(C3=O)C4=CC(=CN=C4)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(=C(N2)C)N/N=C/3\C=CC=C(C3=O)C4=CC(=CN=C4)C(=O)O)C(C)(C)C

InChI

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