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

Systemtic Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H18N4O6/c1-11-13(5-4-6-14(11)23(25)26)19(24)20-10-17-21-18(22-29-17)12-7-8-15(27-2)16(9-12)28-3/h4-9H,10H2,1-3H3,(H,20,24)