5-heptoxy-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-heptoxy-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-heptoxy-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-heptoxy-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-heptoxy-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-heptoxy-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=NN1C)C)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C(=NN1C)C)C(=O)O

InChI

InChI=1S/C13H22N2O3/c1-4-5-6-7-8-9-18-12-11(13(16)17)10(2)14-15(12)3/h4-9H2,1-3H3,(H,16,17)