4-[[(4R)-1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid

Systemtic Name: 4-[[(4R)-1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid Openeye Name: 4-[[(4R)-1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyleneamino]butanoic acid CAS Name: 4-[[(4R)-1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid IUPAC Name: 4-[[(4R)-1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid Traditional Name: 4-[[(4R)-1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyleneamino]butyric acid Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCCCC(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O3/c1-10-13(9-17-7-3-6-14(20)21)15(22)19(18-10)12-5-2-4-11(16)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,20,21)/t13-/m1/s1