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

Systemtic Name: ethyl 3-azanylidene-4,7,7-tricyano-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Openeye Name: ethyl 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate CAS Name: 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate Traditional Name: 4,7,7-tricyano-3-imino-1-methyl-5-phenyl-2-oxabicyclo[2.2.1]heptane-6-carboxylic acid ethyl ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3/c1-3-25-15(24)14-13(12-7-5-4-6-8-12)19(11-22)16(23)26-17(14,2)18(19,9-20)10-21/h4-8,13-14,23H,3H2,1-2H3