[3-(hydroxymethyl)piperidin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [3-(hydroxymethyl)piperidin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [3-(hydroxymethyl)-1-piperidyl]-[3-nitro-4-(1-piperidyl)phenyl]methanone CAS Name: [3-(hydroxymethyl)-1-piperidinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [3-(hydroxymethyl)piperidin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: (3-methylolpiperidino)-(3-nitro-4-piperidino-phenyl)methanone Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O4/c22-13-14-5-4-10-20(12-14)18(23)15-6-7-16(17(11-15)21(24)25)19-8-2-1-3-9-19/h6-7,11,14,22H,1-5,8-10,12-13H2