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

Systemtic Name: 3-[(4Z)-4-[(5-bromanyl-3-iodanyl-2-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(5-bromo-3-iodo-2-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(5-bromo-3-iodo-2-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(5-bromo-3-iodo-2-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H14BrIN2O4 MolecularWeight: 541.13393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC(=C2OC)I)Br)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=CC(=C2OC)I)Br)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H14BrIN2O4/c1-10-15(8-12-6-13(20)9-16(21)17(12)27-2)18(24)23(22-10)14-5-3-4-11(7-14)19(25)26/h3-9H,1-2H3,(H,25,26)/b15-8-