2-[1-(3-cyanophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-cyanophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(3-cyanophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(3-cyanophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[1-(3-cyanophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(3-cyanophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NN(C(=O)C1CC(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H11N3O3/c1-8-11(6-12(17)18)13(19)16(15-8)10-4-2-3-9(5-10)7-14/h2-5,11H,6H2,1H3,(H,17,18)