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

Systemtic Name: 5-(3-cyano-4-propoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(3-cyano-4-propoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(3-cyano-4-propoxyphenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(3-cyano-4-propoxyphenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-(3-cyano-4-propoxy-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)C#N

InChI

InChI=1S/C15H15N3O3/c1-3-6-21-14-5-4-10(7-11(14)9-16)12-8-13(15(19)20)18(2)17-12/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)