ethyl 1-[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(cyanomethylamino)-2-oxo-acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(cyanomethylamino)-1,2-dioxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(cyanomethylamino)-2-keto-acetyl]nipecotic acid ethyl ester Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=O)NCC#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(=O)NCC#N

InChI

InChI=1S/C12H17N3O4/c1-2-19-12(18)9-4-3-7-15(8-9)11(17)10(16)14-6-5-13/h9H,2-4,6-8H2,1H3,(H,14,16)