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

Systemtic Name: 5-[(4Z)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-[(3-bromo-4-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4Z)-4-(3-bromo-4-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C19H14BrClN2O4 MolecularWeight: 449.68246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)Br)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrClN2O4/c1-10-13(7-11-3-6-17(27-2)15(20)8-11)18(24)23(22-10)12-4-5-16(21)14(9-12)19(25)26/h3-9H,1-2H3,(H,25,26)/b13-7-