2-chloranyl-5-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-4-[(4-ethoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-4-[(4-ethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-4-(4-ethoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-15-7-4-13(5-8-15)10-16-12(2)22-23(19(16)24)14-6-9-18(21)17(11-14)20(25)26/h4-11H,3H2,1-2H3,(H,25,26)/b16-10+