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

Systemtic Name: 3-[(5E)-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-dien-1-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]benzoic acid CAS Name: 3-[(5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid Traditional Name: 3-[(5E)-6-keto-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]cyclohexa-1,3-dien-1-yl]benzoic acid Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=CC=C(C2=O)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=CC=C(C2=O)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4/c1-14-20(22(29)27(26-14)17-9-3-2-4-10-17)25-24-19-12-6-11-18(21(19)28)15-7-5-8-16(13-15)23(30)31/h2-13,20,25H,1H3,(H,30,31)/b24-19+