methyl (2S)-2-[3-oxidanylidenebutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate

Systemtic Name: methyl (2S)-2-[3-oxidanylidenebutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate Openeye Name: methyl (2S)-2-[3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate CAS Name: (2S)-2-[1,3-dioxobutyl-(1,3,5-trimethyl-4-pyrazolyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-oxobutanoyl-(1,3,5-trimethylpyrazol-4-yl)amino]propanoate Traditional Name: (2S)-2-[acetoacetyl-(1,3,5-trimethylpyrazol-4-yl)amino]propionic acid methyl ester Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(C)C(=O)OC)C(=O)CC(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N([C@@H](C)C(=O)OC)C(=O)CC(=O)C

InChI

InChI=1S/C14H21N3O4/c1-8(18)7-12(19)17(11(4)14(20)21-6)13-9(2)15-16(5)10(13)3/h11H,7H2,1-6H3/t11-/m0/s1