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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C(C)C

Isomeric SMILES

CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C(C)C

InChI

InChI=1S/C16H18N4O3/c1-5-22-12(21)11-10(9(2)3)16(8-19)13(20)23-14(11,4)15(16,6-17)7-18/h9-11,20H,5H2,1-4H3