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

Systemtic Name: 3-[4-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[4-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5/c1-4-29-19-17(22)9-13(10-18(19)28-3)8-16-12(2)23-24(20(16)25)15-7-5-6-14(11-15)21(26)27/h5-11H,4H2,1-3H3,(H,26,27)