N,N-diethylethanamine; O5-ethyl O1-pentyl (E)-3-azanyl-2-cyano-pent-2-enedioate

Systemtic Name: N,N-diethylethanamine; O5-ethyl O1-pentyl (E)-3-azanyl-2-cyano-pent-2-enedioate Openeye Name: N,N-diethylethanamine; O5-ethyl O1-pentyl (E)-3-amino-2-cyano-pent-2-enedioate CAS Name: (E)-3-amino-2-cyano-2-pentenedioic acid O5-ethyl ester O1-pentyl ester; N,N-diethylethanamine IUPAC Name: N,N-diethylethanamine; 5-O-ethyl 1-O-pentyl (E)-3-amino-2-cyanopent-2-enedioate Traditional Name: (E)-3-amino-2-cyano-pent-2-enedioic acid O1-amyl ester O5-ethyl ester; triethylamine Formula: C19H35N3O4 MolecularWeight: 369.4989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(=C(CC(=O)OCC)N)C#N.CCN(CC)CC

Isomeric SMILES

CCCCCOC(=O)/C(=C(\CC(=O)OCC)/N)/C#N.CCN(CC)CC

InChI

InChI=1S/C13H20N2O4.C6H15N/c1-3-5-6-7-19-13(17)10(9-14)11(15)8-12(16)18-4-2;1-4-7(5-2)6-3/h3-8,15H2,1-2H3;4-6H2,1-3H3/b11-10+;