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

Systemtic Name: methyl 1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyano-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-(1-azocanyl)-2-oxoethyl]-5-cyano-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-5-cyano-6-oxopyridine-3-carboxylate Traditional Name: 1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyano-6-keto-nicotinic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N2CCCCCCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC(=O)N2CCCCCCC2

InChI

InChI=1S/C17H21N3O4/c1-24-17(23)14-9-13(10-18)16(22)20(11-14)12-15(21)19-7-5-3-2-4-6-8-19/h9,11H,2-8,12H2,1H3