2-chloranyl-4-[4-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[4-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-4-[4-[[5-(4-ethoxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-4-[4-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-4-[4-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[4-[[5-(4-carbethoxyphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC(=C(C=C4)C(=O)O)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC(=C(C=C4)C(=O)O)Cl)C

InChI

InChI=1S/C25H19ClN2O6/c1-3-33-25(32)16-6-4-15(5-7-16)22-11-9-18(34-22)13-20-14(2)27-28(23(20)29)17-8-10-19(24(30)31)21(26)12-17/h4-13H,3H2,1-2H3,(H,30,31)