oxolan-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: oxolan-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: tetrahydrofuran-2-ylmethyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid tetrahydrofurfuryl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-13-4-2-8-19(11-13)16-7-6-14(10-17(16)20(22)23)18(21)25-12-15-5-3-9-24-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3