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

Systemtic Name: 2-chloranyl-5-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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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)Cl)C(=O)O)C)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O5/c1-4-10-31-20-9-6-15(12-21(20)30-5-2)11-17-14(3)25-26(22(17)27)16-7-8-19(24)18(13-16)23(28)29/h1,6-9,11-13H,5,10H2,2-3H3,(H,28,29)/b17-11+