1-(4-aminocarbonyl-3-chloranyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-aminocarbonyl-3-chloranyl-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-carbamoyl-3-chloro-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-carbamoyl-3-chlorophenyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-carbamoyl-3-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-carbamoyl-3-chloro-phenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC(=C(C=C3)C(=O)N)Cl)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC(=C(C=C3)C(=O)N)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O5/c1-27-15-4-3-5-16(28-2)17(15)14-9-13(19(25)26)22-23(14)10-6-7-11(18(21)24)12(20)8-10/h3-9H,1-2H3,(H2,21,24)(H,25,26)