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

Systemtic Name: 5-[(4Z)-4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C21H18BrClN2O5 MolecularWeight: 493.73502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C\2/C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC

InChI

InChI=1S/C21H18BrClN2O5/c1-4-30-19-16(22)8-12(9-18(19)29-3)7-14-11(2)24-25(20(14)26)13-5-6-17(23)15(10-13)21(27)28/h5-10H,4H2,1-3H3,(H,27,28)/b14-7-