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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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