(2R)-4-(4-methylphenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate

Systemtic Name: (2R)-4-(4-methylphenyl)-4-oxidanylidene-2-pyrazol-1-yl-butanoate Openeye Name: (2R)-4-oxo-4-(p-tolyl)-2-pyrazol-1-yl-butanoate CAS Name: (2R)-4-(4-methylphenyl)-4-oxo-2-(1-pyrazolyl)butanoate IUPAC Name: (2R)-4-(4-methylphenyl)-4-oxo-2-pyrazol-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(p-tolyl)-2-pyrazol-1-yl-butyrate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])N2C=CC=N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])N2C=CC=N2

InChI

InChI=1S/C14H14N2O3/c1-10-3-5-11(6-4-10)13(17)9-12(14(18)19)16-8-2-7-15-16/h2-8,12H,9H2,1H3,(H,18,19)/p-1/t12-/m1/s1