3-[(5E)-5-[[1-(3-fluoranyl-4-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]benzoic acid

Systemtic Name: 3-[(5E)-5-[[1-(3-fluoranyl-4-methyl-phenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]benzoic acid Openeye Name: 3-[(5E)-5-[[1-(3-fluoro-4-methyl-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]benzoic acid CAS Name: 3-[(5E)-5-[[1-(3-fluoro-4-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienyl]benzoic acid IUPAC Name: 3-[(5E)-5-[[1-(3-fluoro-4-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid Traditional Name: 3-[(5E)-5-[[1-(3-fluoro-4-methyl-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]hydrazono]-6-keto-cyclohexa-1,3-dien-1-yl]benzoic acid Formula: C24H19FN4O4 MolecularWeight: 446.430463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19FN4O4/c1-13-9-10-17(12-19(13)25)29-23(31)21(14(2)28-29)27-26-20-8-4-7-18(22(20)30)15-5-3-6-16(11-15)24(32)33/h3-12,21,27H,1-2H3,(H,32,33)/b26-20+