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

Systemtic Name: 4-[4-[[3-chloranyl-5-ethoxy-4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-[[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-[[3-chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[4-[3-chloro-5-ethoxy-4-(2-ethoxy-2-keto-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H23ClN2O7 MolecularWeight: 486.90162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Cl)OCC(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Cl)OCC(=O)OCC

InChI

InChI=1S/C24H23ClN2O7/c1-4-32-20-12-15(11-19(25)22(20)34-13-21(28)33-5-2)10-18-14(3)26-27(23(18)29)17-8-6-16(7-9-17)24(30)31/h6-12H,4-5,13H2,1-3H3,(H,30,31)