4-[(4E)-4-[(1,5-dimethylpyrazol-4-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(1,5-dimethylpyrazol-4-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(1,5-dimethylpyrazol-4-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(1,5-dimethyl-4-pyrazolyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(1,5-dimethylpyrazol-4-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[(1,5-dimethylpyrazol-4-yl)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=NN1C)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H16N4O3/c1-10-15(8-13-9-18-20(3)11(13)2)16(22)21(19-10)14-6-4-12(5-7-14)17(23)24/h4-9H,1-3H3,(H,23,24)/b15-8+