N-(2-methylbutan-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-methylbutan-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(1,1-dimethylpropyl)-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(2-methylbutan-2-yl)-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(2-methylbutan-2-yl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-tert-amyl-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC(=C(C=C1)N2CCCC(C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O3/c1-5-18(3,4)19-17(22)14-8-9-15(16(11-14)21(23)24)20-10-6-7-13(2)12-20/h8-9,11,13H,5-7,10,12H2,1-4H3,(H,19,22)