2-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]ethanoate

Systemtic Name: 2-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]ethanoate Openeye Name: 2-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyleneamino]acetate CAS Name: 2-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]acetate IUPAC Name: 2-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]acetate Traditional Name: 2-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyleneamino]acetate Formula: C13H12N3O3- MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-9-11(7-14-8-12(17)18)13(19)16(15-9)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,17,18)/p-1/t11-/m0/s1