5-chloranyl-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-[3-cyano-4-(2-methylpropoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-[3-cyano-4-(2-methylpropoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyano-4-isobutoxy-phenyl)pyrazole-4-carboxylic acid Formula: C15H14ClN3O3 MolecularWeight: 319.74296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)Cl)C#N

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)Cl)C#N

InChI

InChI=1S/C15H14ClN3O3/c1-9(2)8-22-13-4-3-11(5-10(13)6-17)19-14(16)12(7-18-19)15(20)21/h3-5,7,9H,8H2,1-2H3,(H,20,21)