(4-phenylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: (4-phenylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: (4-phenyl-1-piperidyl)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: (4-phenyl-1-piperidinyl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: (4-phenylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: (4-phenylpiperidino)-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H24N2O6/c1-27-17-13-16(18(23(25)26)20(29-3)19(17)28-2)21(24)22-11-9-15(10-12-22)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3