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

Systemtic Name: 5-[(4Z)-4-[(2-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-[(2-bromo-4,5-dimethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4Z)-4-(2-bromo-4,5-dimethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C20H16BrClN2O5 MolecularWeight: 479.70844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN2O5/c1-10-13(6-11-7-17(28-2)18(29-3)9-15(11)21)19(25)24(23-10)12-4-5-16(22)14(8-12)20(26)27/h4-9H,1-3H3,(H,26,27)/b13-6-