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

Systemtic Name: [2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)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-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl] ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3CN4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CC=C3CN4CCOCC4

InChI

InChI=1S/C25H30N4O6/c30-24(26-16-19-5-1-2-6-20(19)17-27-11-13-34-14-12-27)18-35-25(31)22-15-21(29(32)33)7-8-23(22)28-9-3-4-10-28/h1-2,5-8,15H,3-4,9-14,16-18H2,(H,26,30)