3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)propanoate Openeye Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propanoate Traditional Name: 3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)propionate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c1-9-11(7-8-12(16)17)13(18)15(14-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3,(H,16,17)/p-1