(Z)-3-[3-chloranyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (Z)-3-[3-chloranyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate Openeye Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-chloro-5-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-cyano-2-propenoate IUPAC Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-chloro-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-cyano-acrylate Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)[O-])Cl)OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)[O-])Cl)OCC[NH+]2CCOCC2

InChI

InChI=1S/C18H21ClN2O5/c1-2-25-16-11-13(9-14(12-20)18(22)23)10-15(19)17(16)26-8-5-21-3-6-24-7-4-21/h9-11H,2-8H2,1H3,(H,22,23)/b14-9-