[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-[[2-(4-morpholinylmethyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl] ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3CN4CCOCC4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3CN4CCOCC4

InChI

InChI=1S/C26H32N4O6/c31-25(27-17-20-6-2-3-7-21(20)18-28-12-14-35-15-13-28)19-36-26(32)23-16-22(30(33)34)8-9-24(23)29-10-4-1-5-11-29/h2-3,6-9,16H,1,4-5,10-15,17-19H2,(H,27,31)