[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-methylmorpholin-4-yl)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-methyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-methylmorpholino)ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6/c1-14-5-7-21(8-6-14)17-4-3-16(11-18(17)23(26)27)20(25)29-13-19(24)22-9-10-28-15(2)12-22/h3-4,11,14-15H,5-10,12-13H2,1-2H3