1-(pyridin-3-ylcarbonylamino)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 1-(pyridin-3-ylcarbonylamino)ethyl 3-oxidanylidenebutanoate Openeye Name: 1-(pyridine-3-carbonylamino)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1-[[oxo(3-pyridinyl)methyl]amino]ethyl ester IUPAC Name: 1-(pyridine-3-carbonylamino)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 1-nicotinamidoethyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1=CN=CC=C1)OC(=O)CC(=O)C

Isomeric SMILES

CC(NC(=O)C1=CN=CC=C1)OC(=O)CC(=O)C

InChI

InChI=1S/C12H14N2O4/c1-8(15)6-11(16)18-9(2)14-12(17)10-4-3-5-13-7-10/h3-5,7,9H,6H2,1-2H3,(H,14,17)