3,4,5-trimethoxy-N-(3-methyl-1-phenyl-butyl)-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(3-methyl-1-phenyl-butyl)-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-(3-methyl-1-phenyl-butyl)-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-(3-methyl-1-phenylbutyl)-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-(3-methyl-1-phenylbutyl)-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-N-(3-methyl-1-phenyl-butyl)-2-nitro-benzamide Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H26N2O6/c1-13(2)11-16(14-9-7-6-8-10-14)22-21(24)15-12-17(27-3)19(28-4)20(29-5)18(15)23(25)26/h6-10,12-13,16H,11H2,1-5H3,(H,22,24)