1,5-dimethyl-2-phenyl-pyrazol-3-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid

Systemtic Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; (2S)-5-oxidanylidenepyrrolidine-2-carboxylic acid Openeye Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; (2S)-5-oxopyrrolidine-2-carboxylic acid CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; (2S)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one; (2S)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: antipyrine; (2S)-5-ketoproline Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1CC(=O)NC1C(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1CC(=O)N[C@@H]1C(=O)O

InChI

InChI=1S/C11H12N2O.C5H7NO3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;7-4-2-1-3(6-4)5(8)9/h3-8H,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1