benzenecarbonitrile; 2-(methylamino)ethyl (E)-4-oxidanylidene-4-pentylperoxy-but-2-enoate

Systemtic Name: benzenecarbonitrile; 2-(methylamino)ethyl (E)-4-oxidanylidene-4-pentylperoxy-but-2-enoate Openeye Name: benzonitrile; 2-(methylamino)ethyl (E)-4-oxo-4-pentylperoxy-but-2-enoate CAS Name: benzonitrile; (E)-4-oxo-4-pentyldioxy-2-butenoic acid 2-(methylamino)ethyl ester IUPAC Name: benzonitrile; 2-(methylamino)ethyl (E)-4-oxo-4-pentylperoxybut-2-enoate Traditional Name: (E)-4-amylperoxy-4-keto-but-2-enoic acid 2-(methylamino)ethyl ester; benzonitrile Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOOC(=O)C=CC(=O)OCCNC.C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCOOC(=O)/C=C/C(=O)OCCNC.C1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H21NO5.C7H5N/c1-3-4-5-9-17-18-12(15)7-6-11(14)16-10-8-13-2;8-6-7-4-2-1-3-5-7/h6-7,13H,3-5,8-10H2,1-2H3;1-5H/b7-6+;