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

Systemtic Name: ethyl 3-azanylidene-4,7,7-tricyano-1-methyl-5-propyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Openeye Name: ethyl 4,7,7-tricyano-3-imino-1-methyl-5-propyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate CAS Name: 4,7,7-tricyano-3-imino-1-methyl-5-propyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4,7,7-tricyano-3-imino-1-methyl-5-propyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Traditional Name: 4,7,7-tricyano-3-imino-1-methyl-5-propyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C(=O)OCC

Isomeric SMILES

CCCC1C(C2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C(=O)OCC

InChI

InChI=1S/C16H18N4O3/c1-4-6-10-11(12(21)22-5-2)14(3)15(7-17,8-18)16(10,9-19)13(20)23-14/h10-11,20H,4-6H2,1-3H3