5-(4-butoxy-3-cyano-phenyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-butoxy-3-cyano-phenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-butoxy-3-cyano-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-butoxy-3-cyanophenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-butoxy-3-cyanophenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(4-butoxy-3-cyano-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

InChI

InChI=1S/C16H17N3O3/c1-3-4-7-22-15-6-5-11(8-12(15)10-17)13-9-14(16(20)21)19(2)18-13/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,21)