4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-(2-furylmethylene)-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-(2-furanylmethylidene)-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(2-furfurylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CO3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CC=CO3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-20-18(13-17-7-4-12-27-17)19(14-5-2-1-3-6-14)22-23(20)16-10-8-15(9-11-16)21(25)26/h1-13H,(H,25,26)/b18-13-