(2S)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid

Systemtic Name: (2S)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methylideneamino]butanoic acid Openeye Name: (2S)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyleneamino]butanoic acid CAS Name: (2S)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid IUPAC Name: (2S)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methylideneamino]butanoic acid Traditional Name: (2S)-2-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyleneamino]butyric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N=CC1C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CC[C@@H](C(=O)O)N=CC1C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C17H21N3O3/c1-5-15(17(22)23)18-9-14-12(4)19-20(16(14)21)13-7-6-10(2)11(3)8-13/h6-9,14-15H,5H2,1-4H3,(H,22,23)/t14?,15-/m0/s1