methyl 1-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-(azetidin-1-yl)-2-oxo-ethyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-(1-azetidinyl)-2-oxoethyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-(azetidin-1-yl)-2-keto-ethyl]-5-cyano-6-keto-nicotinic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N2CCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N2CCC2

InChI

InChI=1S/C13H13N3O4/c1-20-13(19)10-5-9(6-14)12(18)16(7-10)8-11(17)15-3-2-4-15/h5,7H,2-4,8H2,1H3