1-methyl-3-(4-propoxyphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-3-(4-propoxyphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-(4-propoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-(4-propoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-(4-propoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-methyl-3-(4-propoxyphenyl)pyrazole-4-carboxylic acid Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C14H16N2O3/c1-3-8-19-11-6-4-10(5-7-11)13-12(14(17)18)9-16(2)15-13/h4-7,9H,3,8H2,1-2H3,(H,17,18)