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

Systemtic Name: (4E)-4-[[5-methyl-3-oxidanylidene-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (4E)-4-[[2-(4-benzyloxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (4E)-4-[[5-methyl-3-oxo-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (4E)-4-[[5-methyl-3-oxo-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (4E)-4-[[1-(4-benzoxyphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-3-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)NN=C4C=CC(=CC4=O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N/N=C/4\C=CC(=CC4=O)C(=O)O

InChI

InChI=1S/C24H20N4O5/c1-15-22(26-25-20-12-7-17(24(31)32)13-21(20)29)23(30)28(27-15)18-8-10-19(11-9-18)33-14-16-5-3-2-4-6-16/h2-13,26-27H,14H2,1H3,(H,31,32)/b25-20+