octyl (E)-2-cyano-3-(methylamino)prop-2-enoate

Systemtic Name: octyl (E)-2-cyano-3-(methylamino)prop-2-enoate Openeye Name: octyl (E)-2-cyano-3-(methylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylamino)-2-propenoic acid octyl ester IUPAC Name: octyl (E)-2-cyano-3-(methylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylamino)acrylic acid octyl ester Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(=CNC)C#N

Isomeric SMILES

CCCCCCCCOC(=O)/C(=C/NC)/C#N

InChI

InChI=1S/C13H22N2O2/c1-3-4-5-6-7-8-9-17-13(16)12(10-14)11-15-2/h11,15H,3-9H2,1-2H3/b12-11+