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

Systemtic Name: 3-[(4Z)-4-[(2-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(2-bromo-5-methoxy-4-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(2-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(2-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(2-bromo-5-methoxy-4-propoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

InChI

InChI=1S/C22H21BrN2O5/c1-4-8-30-20-12-18(23)15(11-19(20)29-3)10-17-13(2)24-25(21(17)26)16-7-5-6-14(9-16)22(27)28/h5-7,9-12H,4,8H2,1-3H3,(H,27,28)/b17-10-