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

Systemtic Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzamide CAS Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitro-benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NOC(=N2)CN(C(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-13(2)23(20(25)16-8-5-9-17(11-16)24(26)27)12-18-21-19(22-28-18)15-7-4-6-14(3)10-15/h4-11,13H,12H2,1-3H3