5-oxidanylidene-1-phenethyl-4H-pyrazole-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-1-phenethyl-4H-pyrazole-3-carboxylic acid Openeye Name: 5-oxo-1-phenethyl-4H-pyrazole-3-carboxylic acid CAS Name: 5-oxo-1-phenethyl-4H-pyrazole-3-carboxylic acid IUPAC Name: 5-oxo-1-phenethyl-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-1-phenethyl-2-pyrazoline-3-carboxylic acid Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O3/c15-11-8-10(12(16)17)13-14(11)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)