N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O8/c1-28-16-6-5-12(7-18(16)29-2)17-8-13(23-32-17)11-22-21(25)14-9-19(30-3)20(31-4)10-15(14)24(26)27/h5-10H,11H2,1-4H3,(H,22,25)