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

Systemtic Name: 2-chloranyl-5-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-5-keto-4-(3-methoxy-4-propargyloxy-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OCC#C)OC)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H17ClN2O5/c1-4-9-30-19-8-5-14(11-20(19)29-3)10-16-13(2)24-25(21(16)26)15-6-7-18(23)17(12-15)22(27)28/h1,5-8,10-12H,9H2,2-3H3,(H,27,28)/b16-10+