ethyl 2-bromanyl-2-cyano-ethanoate; ethyl 1,1,2-tricyanospiro[2.5]octane-2-carboxylate

Systemtic Name: ethyl 2-bromanyl-2-cyano-ethanoate; ethyl 1,1,2-tricyanospiro[2.5]octane-2-carboxylate Openeye Name: ethyl 2-bromo-2-cyano-acetate; ethyl 1,1,2-tricyanospiro[2.5]octane-2-carboxylate CAS Name: 2-bromo-2-cyanoacetic acid ethyl ester; 1,1,2-tricyano-2-spiro[2.5]octanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-bromo-2-cyanoacetate; ethyl 1,1,2-tricyanospiro[2.5]octane-2-carboxylate Traditional Name: 2-bromo-2-cyano-acetic acid ethyl ester; 1,1,2-tricyanospiro[2.5]octane-2-carboxylic acid ethyl ester Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)Br.CCOC(=O)C1(C2(C1(C#N)C#N)CCCCC2)C#N

Isomeric SMILES

CCOC(=O)C(C#N)Br.CCOC(=O)C1(C2(C1(C#N)C#N)CCCCC2)C#N

InChI

InChI=1S/C14H15N3O2.C5H6BrNO2/c1-2-19-11(18)14(10-17)12(6-4-3-5-7-12)13(14,8-15)9-16;1-2-9-5(8)4(6)3-7/h2-7H2,1H3;4H,2H2,1H3