N-[1-(2-fluorophenyl)carbonylpiperidin-4-yl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[1-(2-fluorophenyl)carbonylpiperidin-4-yl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[1-(2-fluorobenzoyl)-4-piperidyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[1-[(2-fluorophenyl)-oxomethyl]-4-piperidinyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[1-(2-fluorobenzoyl)-4-piperidyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C22H24FN3O7 MolecularWeight: 461.440263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3F)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3F)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H24FN3O7/c1-31-17-12-15(18(26(29)30)20(33-3)19(17)32-2)21(27)24-13-8-10-25(11-9-13)22(28)14-6-4-5-7-16(14)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,27)