(4E)-4-[[(4S)-3-carboxy-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: (4E)-4-[[(4S)-3-carboxy-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: (4E)-4-[[(4S)-3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylic acid CAS Name: (4E)-4-[[(4S)-3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: (4E)-4-[[(4S)-3-carboxy-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid Traditional Name: (4E)-4-[[(4S)-3-carboxy-5-keto-1-phenyl-2-pyrazolin-4-yl]methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)[C@H](C(=N2)C(=O)O)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H14N4O6/c26-18-14(16(20(28)29)22-24(18)12-7-3-1-4-8-12)11-15-17(21(30)31)23-25(19(15)27)13-9-5-2-6-10-13/h1-11,14H,(H,28,29)(H,30,31)/b15-11+/t14-/m0/s1