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

Systemtic Name: 5-chloranyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-nitro-benzamide Formula: C19H16ClN3O6 MolecularWeight: 417.79984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O6/c1-27-16-6-3-11(7-18(16)28-2)17-9-13(22-29-17)10-21-19(24)14-8-12(20)4-5-15(14)23(25)26/h3-9H,10H2,1-2H3,(H,21,24)