methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]propanoate

Systemtic Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]propanoate Openeye Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]propanoate CAS Name: (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]propanoate Traditional Name: (2S)-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]propionic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C)C(=O)OC)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CN[C@@H](C)C(=O)OC)C1=O)CO

InChI

InChI=1S/C12H16N2O4/c1-7-11(16)10(9(6-15)4-13-7)5-14-8(2)12(17)18-3/h4-5,8,14-15H,6H2,1-3H3/t8-/m0/s1