2-chloranyl-5-[(4Z)-4-[(3-methoxy-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 2-chloranyl-5-[(4Z)-4-[(3-methoxy-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 2-chloro-5-[(4Z)-4-[(3-methoxy-4-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 2-chloro-5-[(4Z)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 2-chloro-5-[(4Z)-4-[(3-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 2-chloro-5-[(4Z)-5-keto-4-(3-methoxy-4-propoxy-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C22H20ClN2O5- MolecularWeight: 427.8576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)[O-])C)OC

InChI

InChI=1S/C22H21ClN2O5/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/h5-8,10-12H,4,9H2,1-3H3,(H,27,28)/p-1/b16-10-