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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6/c1-14-4-3-7-22(13-14)17-6-5-16(12-18(17)23(26)27)20(25)29-15(2)19(24)21-8-10-28-11-9-21/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3