ethyl 1-[[6-(hydroxymethyl)-2-oxidanylidene-1H-pyridin-3-yl]methyl]aziridine-2-carboxylate

Systemtic Name: ethyl 1-[[6-(hydroxymethyl)-2-oxidanylidene-1H-pyridin-3-yl]methyl]aziridine-2-carboxylate Openeye Name: ethyl 1-[[6-(hydroxymethyl)-2-oxo-1H-pyridin-3-yl]methyl]aziridine-2-carboxylate CAS Name: 1-[[6-(hydroxymethyl)-2-oxo-1H-pyridin-3-yl]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-(hydroxymethyl)-2-oxo-1H-pyridin-3-yl]methyl]aziridine-2-carboxylate Traditional Name: 1-[(2-keto-6-methylol-1H-pyridin-3-yl)methyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN1CC2=CC=C(NC2=O)CO

Isomeric SMILES

CCOC(=O)C1CN1CC2=CC=C(NC2=O)CO

InChI

InChI=1S/C12H16N2O4/c1-2-18-12(17)10-6-14(10)5-8-3-4-9(7-15)13-11(8)16/h3-4,10,15H,2,5-7H2,1H3,(H,13,16)