bis(2-cyanoprop-2-enyl) 5-(2-isocyanoprop-2-enylperoxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(2-cyanoprop-2-enyl) 5-(2-isocyanoprop-2-enylperoxymethyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-cyanoallyl) 5-(2-isocyanoallylperoxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(2-isocyanoprop-2-enyldioxymethyl)benzene-1,3-dicarboxylic acid bis(2-cyanoprop-2-enyl) ester IUPAC Name: bis(2-cyanoprop-2-enyl) 5-(2-isocyanoprop-2-enylperoxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-(2-isocyanoallylperoxymethyl)benzene-1,3-dicarboxylic acid bis(2-cyanoallyl) ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C=C(COC(=O)C1=CC(=CC(=C1)COOCC(=C)[N+]#[C-])C(=O)OCC(=C)C#N)C#N

Isomeric SMILES

C=C(COC(=O)C1=CC(=CC(=C1)COOCC(=C)[N+]#[C-])C(=O)OCC(=C)C#N)C#N

InChI

InChI=1S/C21H17N3O6/c1-14(8-22)10-27-20(25)18-5-17(13-30-29-12-16(3)24-4)6-19(7-18)21(26)28-11-15(2)9-23/h5-7H,1-3,10-13H2