(4S)-4-(2-hydroxyethyl)-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: (4S)-4-(2-hydroxyethyl)-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: (4S)-4-(2-hydroxyethyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: (4S)-4-(2-hydroxyethyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate IUPAC Name: (4S)-4-(2-hydroxyethyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: (4S)-4-(2-hydroxyethyl)-5-keto-1-phenyl-2-pyrazoline-3-carboxylate Formula: C12H11N2O4- MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c15-7-6-9-10(12(17)18)13-14(11(9)16)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2,(H,17,18)/p-1/t9-/m0/s1