4-[(E)-but-2-enoxy]-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(E)-but-2-enoxy]-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(E)-but-2-enoxy]-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-[(E)-but-2-enoxy]-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(E)-but-2-enoxy]-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-[(E)-but-2-enoxy]-1-phenyl-pyrazole-3-carboxylic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC1=CN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

C/C=C/COC1=CN(N=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3/c1-2-3-9-19-12-10-16(15-13(12)14(17)18)11-7-5-4-6-8-11/h2-8,10H,9H2,1H3,(H,17,18)/b3-2+