5-hexoxy-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-hexoxy-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-hexoxy-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-hexoxy-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-hexoxy-1-phenylpyrazole-4-carboxylate Traditional Name: 5-hexoxy-1-phenyl-pyrazole-4-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-2-3-4-8-11-21-15-14(16(19)20)12-17-18(15)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,19,20)/p-1