3-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O4/c1-14-19(21(25)24(23-14)17-8-3-2-4-9-17)13-18-10-11-20(28-18)15-6-5-7-16(12-15)22(26)27/h2-13H,1H3,(H,26,27)/b19-13+