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

Systemtic Name: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzamide CAS Name: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=NC(=NO1)C2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-13(2)23(20(25)15-5-4-6-16(11-15)24(26)27)12-18-21-19(22-29-18)14-7-9-17(28-3)10-8-14/h4-11,13H,12H2,1-3H3