1-(2-ethoxy-2-oxidanylidene-ethyl)-3-phenylmethoxy-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-ethoxy-2-oxidanylidene-ethyl)-3-phenylmethoxy-pyrazole-4-carboxylic acid Openeye Name: 3-benzyloxy-1-(2-ethoxy-2-oxo-ethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-ethoxy-2-oxoethyl)-3-phenylmethoxy-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-3-phenylmethoxypyrazole-4-carboxylic acid Traditional Name: 3-benzoxy-1-(2-ethoxy-2-keto-ethyl)pyrazole-4-carboxylic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=N1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)CN1C=C(C(=N1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O5/c1-2-21-13(18)9-17-8-12(15(19)20)14(16-17)22-10-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,19,20)