4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-[(2-methylcoumaran-5-yl)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H18N2O4/c1-12-9-16-10-14(3-8-19(16)27-12)11-18-13(2)22-23(20(18)24)17-6-4-15(5-7-17)21(25)26/h3-8,10-12H,9H2,1-2H3,(H,25,26)/b18-11-