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

Systemtic Name: 4-[(4Z)-4-[(3-chloranyl-5-ethoxy-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(3-chloro-5-ethoxy-4-isopropoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(3-chloro-5-ethoxy-4-isopropoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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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)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)Cl)OC(C)C

InChI

InChI=1S/C23H23ClN2O5/c1-5-30-20-12-15(11-19(24)21(20)31-13(2)3)10-18-14(4)25-26(22(18)27)17-8-6-16(7-9-17)23(28)29/h6-13H,5H2,1-4H3,(H,28,29)/b18-10-