4-imidazol-1-yl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide Openeye Name: 4-imidazol-1-yl-N-[[2-(isopropoxymethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide Traditional Name: 4-imidazol-1-yl-N-[2-(isopropoxymethyl)benzyl]-3-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15(2)29-13-18-6-4-3-5-17(18)12-23-21(26)16-7-8-19(20(11-16)25(27)28)24-10-9-22-14-24/h3-11,14-15H,12-13H2,1-2H3,(H,23,26)