3-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-propan-2-ylphenyl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-3-methyl-5-oxidanylidene-4-[(4-propan-2-ylphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(4-isopropylphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-methyl-5-oxo-4-[(4-propan-2-ylphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(4-isopropylbenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(C)C)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)C(C)C)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3/c1-13(2)16-9-7-15(8-10-16)11-19-14(3)22-23(20(19)24)18-6-4-5-17(12-18)21(25)26/h4-13H,1-3H3,(H,25,26)/b19-11-