3-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-3-methyl-4-[(5-methyl-2-furyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-4-[(5-methyl-2-furanyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-4-[(5-methylfuran-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-methyl-4-[(5-methyl-2-furyl)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H14N2O4/c1-10-6-7-14(23-10)9-15-11(2)18-19(16(15)20)13-5-3-4-12(8-13)17(21)22/h3-9H,1-2H3,(H,21,22)/b15-9+