(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6/c1-14-3-2-6-21(12-14)16-5-4-15(11-17(16)22(25)26)19(24)28-13-18(23)20-7-9-27-10-8-20/h4-5,11,14H,2-3,6-10,12-13H2,1H3