(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-carboxylate

Systemtic Name: (4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-carboxylate Openeye Name: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylate CAS Name: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylate IUPAC Name: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylate Traditional Name: (4S)-5-keto-3-methyl-1-phenyl-2-pyrazoline-4-carboxylate Formula: C11H9N2O3- MolecularWeight: 217.20076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O3/c1-7-9(11(15)16)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,15,16)/p-1/t9-/m0/s1