N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-(4-nitrophenyl)acetamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O6/c1-27-17-8-5-14(10-19(17)28-2)18-11-15(22-29-18)12-21-20(24)9-13-3-6-16(7-4-13)23(25)26/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)