3-(5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)propanoic acid

Systemtic Name: 3-(5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)propanoic acid Openeye Name: 3-(5-oxo-1,2-diphenyl-pyrazol-3-yl)propanoic acid CAS Name: 3-(5-oxo-1,2-diphenyl-3-pyrazolyl)propanoic acid IUPAC Name: 3-(5-oxo-1,2-diphenylpyrazol-3-yl)propanoic acid Traditional Name: 3-(5-keto-1,2-diphenyl-3-pyrazolin-3-yl)propionic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N2C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N2C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C18H16N2O3/c21-17-13-16(11-12-18(22)23)19(14-7-3-1-4-8-14)20(17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,22,23)