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

Systemtic Name: 2-[[(4S)-3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]ethanoate Openeye Name: 2-[[(4S)-3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyleneamino]acetate CAS Name: 2-[[(4S)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methylideneamino]acetate IUPAC Name: 2-[[(4S)-3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methylideneamino]acetate Traditional Name: 2-[[(4S)-5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyleneamino]acetate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-9-3-5-11(6-4-9)17-14(20)12(10(2)16-17)7-15-8-13(18)19/h3-7,12H,8H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1