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

Systemtic Name: 4-[(4E)-4-[(4-acetyloxy-2-bromanyl-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-acetoxy-2-bromo-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-acetyloxy-2-bromo-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-acetyloxy-2-bromo-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-acetoxy-2-bromo-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC(=O)C)OC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OC(=O)C)OC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17BrN2O6/c1-11-16(8-14-9-18(29-3)19(10-17(14)22)30-12(2)25)20(26)24(23-11)15-6-4-13(5-7-15)21(27)28/h4-10H,1-3H3,(H,27,28)/b16-8+