3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-(3-p-phenetyl-1,2,4-oxadiazol-5-yl)propionamide Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H20N4O6/c1-2-29-16-6-3-13(4-7-16)20-22-19(30-23-20)10-9-18(26)21-12-14-11-15(24(27)28)5-8-17(14)25/h3-8,11,25H,2,9-10,12H2,1H3,(H,21,26)