4-pentoxy-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-pentoxy-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-pentoxy-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-pentoxy-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-pentoxy-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-amoxy-1-phenyl-pyrazole-3-carboxylic acid Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O3/c1-2-3-7-10-20-13-11-17(16-14(13)15(18)19)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,18,19)