N-(1,3-benzodioxol-5-yl)-1-(3-fluoranyl-4-methyl-5-nitro-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-fluoranyl-4-methyl-5-nitro-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methyl-5-nitro-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluoro-4-methyl-5-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methyl-5-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methyl-5-nitro-benzoyl)isonipecotamide Formula: C21H20FN3O6 MolecularWeight: 429.398403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O6/c1-12-16(22)8-14(9-17(12)25(28)29)21(27)24-6-4-13(5-7-24)20(26)23-15-2-3-18-19(10-15)31-11-30-18/h2-3,8-10,13H,4-7,11H2,1H3,(H,23,26)