(2R)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoate

Systemtic Name: (2R)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoate Openeye Name: (2R)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]butanoate CAS Name: (2R)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]butanoate IUPAC Name: (2R)-2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]butanoate Traditional Name: (2R)-2-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]butyrate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC=C1C(=NN(C1=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CC[C@H](C(=O)[O-])NC=C1C(=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/h6-9,15,18H,5H2,1-4H3,(H,22,23)/p-1/t15-/m1/s1