5-[(4E)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(4E)-4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C19H12BrClN2O5 MolecularWeight: 463.66598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2Br)OCO3)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2Br)OCO3)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H12BrClN2O5/c1-9-12(4-10-5-16-17(7-14(10)20)28-8-27-16)18(24)23(22-9)11-2-3-15(21)13(6-11)19(25)26/h2-7H,8H2,1H3,(H,25,26)/b12-4+