N-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methyl]-2-cyano-ethanamide

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methyl]-2-cyano-ethanamide Openeye Name: N-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methyl]-2-cyano-acetamide CAS Name: N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methyl]-2-cyanoacetamide IUPAC Name: N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methyl]-2-cyanoacetamide Traditional Name: N-(3-chloro-5-ethoxy-4-hydroxy-benzyl)-2-cyano-acetamide Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC(=O)CC#N)Cl)O

InChI

InChI=1S/C12H13ClN2O3/c1-2-18-10-6-8(5-9(13)12(10)17)7-15-11(16)3-4-14/h5-6,17H,2-3,7H2,1H3,(H,15,16)