ethyl 3-azanylidene-4,7,7-tricyano-5-ethyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate

Systemtic Name: ethyl 3-azanylidene-4,7,7-tricyano-5-ethyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Openeye Name: ethyl 4,7,7-tricyano-5-ethyl-3-imino-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate CAS Name: 4,7,7-tricyano-5-ethyl-3-imino-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4,7,7-tricyano-5-ethyl-3-imino-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Traditional Name: 4,7,7-tricyano-5-ethyl-3-imino-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C(=O)OCC

Isomeric SMILES

CCC1C(C2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C(=O)OCC

InChI

InChI=1S/C15H16N4O3/c1-4-9-10(11(20)21-5-2)13(3)14(6-16,7-17)15(9,8-18)12(19)22-13/h9-10,19H,4-5H2,1-3H3